CAS 43229-65-8

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1 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 43229-65-8, 1-(4-methoxyphenyl)-2-benzylaminopropane, 1-(4-methoxyphenyl)-2-(benzylamino)propane, 4-methoxy-a-methyl-n-(phenylmethyl)benzeneethanamine, N-benzyl-1-(4-methoxyphenyl)-2-propanamine, N-benzyl-4-methoxy-alpha-methylphenethylamine

Molecular Formula

C₁₇H₂₁NO

Molecular Weight

255.35 g/mol

InChI Key

CVGPWMGXKOKNFD-UHFFFAOYSA-N

1 2D Structure

CAS 43229-65-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-1-(4-methoxyphenyl)propan-2-amine

2.1.2 InChI

InChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3

2.1.3 InChI Key

CVGPWMGXKOKNFD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CC1=CC=C(C=C1)OC)NCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 43229-65-8

2. 1-(4-methoxyphenyl)-2-benzylaminopropane

3. 1-(4-methoxyphenyl)-2-(benzylamino)propane

4. 4-methoxy-a-methyl-n-(phenylmethyl)benzeneethanamine

5. N-benzyl-1-(4-methoxyphenyl)-2-propanamine

6. N-benzyl-4-methoxy-alpha-methylphenethylamine

7. Einecs 256-155-1

8. 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine

9. Benzyl[1-(4-methoxyphenyl)propan-2-yl]amine

10. Schembl593666

11. Dtxsid00962972

12. Bcp12401

13. Cs-m1164

14. Mfcd00025847

15. Akos005889448

16. Ds-4164

17. Ac-22048

18. 1-(4'-methoxyphenyl)-2-benzylaminopropane

19. Db-051060

20. 2-(benzylamino)-1-(4-methoxyphenyl)propane

21. Ft-0608730

22. Ft-0700686

23. 2-(benzylamino)-1-(4-methoxyphenyl)-propane

24. F31291

25. 229m658

26. A826229

27. N-benzyl-n-(4-methoxy-alpha-methylphenethyl)amine

28. N-benzyl-n-(1-methyl-2-p-methoxyphenylethyl) Amine

29. W-106238

30. [2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amine

31. Benzeneethanamine, 4-methoxy-a-methyl-n-(phenylmethyl)-

32. Racemic 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine

33. Racemic 4-methoxy-alpha-methyl-n-(phenylmethyl)benzene Ethanamine

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₁NO
Molecular Weight	255.35 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	21.3
Heavy Atom Count	19
Formal Charge	0
Complexity	229
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