Diisopropyl-[3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propyl]-amine

Chemistry

Chemistry

Diisopropyl-[3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propyl]-amine

Also known as: 6su8e4f89e, N,n-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine, (3rs)-3-(2-methoxy-5-methylphenyl)-n,n-bis(1-methylethyl)-3-phenylpropan-1-amine, 124935-89-3, Unii-6su8e4f89e, Schembl614300

Molecular Formula

C₂₃H₃₃NO

Molecular Weight

339.5 g/mol

InChI Key

CCXFTVHDCYNKJH-UHFFFAOYSA-N

FDA UNII

6SU8E4F89E

1 2D Structure

Diisopropyl-[3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propyl]-amine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

2.1.2 InChI

InChI=1S/C23H33NO/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6/h7-13,16-18,21H,14-15H2,1-6H3

2.1.3 InChI Key

CCXFTVHDCYNKJH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)OC)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

6SU8E4F89E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6su8e4f89e

2. N,n-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine

3. (3rs)-3-(2-methoxy-5-methylphenyl)-n,n-bis(1-methylethyl)-3-phenylpropan-1-amine

4. 124935-89-3

5. Unii-6su8e4f89e

6. Schembl614300

7. Tolterodine Tartrate Impurity C [ep]

8. Akos025402035

9. Ac-3469

10. Tolterodine Tartrate Impurity C [ep Impurity]

11. N,n-diisopropyl-3(2-methoxy-5-methylphenyl)-3-phenylpropanamine

12. N,n-diisopropyl-3- (2-methoxy-5-methylphenyl)-3-phenylpropylamine

13. N,n-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropyl Amine

14. N,n-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropylamine

15. 2-methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine

16. 3-(2-methoxy-5-methylphenyl)-3-phenyl-n,n-di(propan-2-yl)propan-1-amine

17. N,n-diisopropyl-[3-(2-methoxy-5-methylphenyl)-3-phenylpropyl]-amine

18. N,n-diisopropyl-3-phenyl-3-(2-methoxy-5-methylphenyl)propane-1-amine

19. 2-methoxy-5-methyl-n,n-bis(1-methylethyl)-.gamma.-phenylbenzenepropanamine

20. Benzenepropanamine, 2-methoxy-5-methyl-n,n-bis(1-methylethyl)-.gamma.-phenyl-

21. Benzenepropanamine, 2-methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenyl-

22. (3rs)-3-(2-methoxy-5-methylphenyl)-n,n-bis(1-methylethyl)-3-phenylpropan-1-amine ((rs)-tolterodine Methyl Ether)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₃NO
Molecular Weight	339.5 g/mol
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	339.256214676 g/mol
Monoisotopic Mass	339.256214676 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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