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(1S)-3-(Methylamino)-1-Phenylpropan-1-Ol
PharmaCompass
(1S)-3-(Methylamino)-1-Phenylpropan-1-Ol
Also known as: 114133-37-8, (s)-3-(methylamino)-1-phenylpropan-1-ol, (s)-3-(methylamino)-1-phenylpropanol, Pubchem23246, (s)-3-methylamino-1-phenyl-propan-1-ol, Ac1om1xf
Molecular Formula
C10H15NO
Molecular Weight
165.236  g/mol
InChI Key
XXSDCGNHLFVSET-JTQLQIEISA-N

1 2D Structure

(1S)-3-(Methylamino)-1-Phenylpropan-1-Ol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-3-(methylamino)-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-/m0/s1
2.1.3 InChI Key
XXSDCGNHLFVSET-JTQLQIEISA-N
2.1.4 Canonical SMILES
CNCCC(C1=CC=CC=C1)O
2.1.5 Isomeric SMILES
CNCC[C@@H](C1=CC=CC=C1)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 114133-37-8

2. (s)-3-(methylamino)-1-phenylpropan-1-ol

3. (s)-3-(methylamino)-1-phenylpropanol

4. Pubchem23246

5. (s)-3-methylamino-1-phenyl-propan-1-ol

6. Ac1om1xf

7. Benzenemethanol, A-[2-(methylamino)ethyl]-, (as)-

8. Schembl1199711

9. Jsp001069

10. Ctk4a8606

11. Xxsdcgnhlfvset-jtqlqieisa-n

12. Zinc4977394

13. Akos025393597

14. Ac-5329

15. (s)-3-methylamino-1-phenyl-1-propanol

16. Aj-52754

17. Ak385038

18. Ts-00134

19. (s)-1-phenyl-3-(methylamino)-1-propanol

20. Db-001144

21. Ft-0771123

22. I01-8981

23. Benzenemethanol, Alpha-[2-(methylamino)ethyl]-, (alphas)-

24. Unii-i28nd993bo Component Xxsdcgnhlfvset-jtqlqieisa-n

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 165.236 g/mol
Molecular Formula C10H15NO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115 g/mol
Monoisotopic Mass165.115 g/mol
Topological Polar Surface Area32.3 A^2
Heavy Atom Count12
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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