(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol

C9H12ClNO — CID 28743755

IUPAC(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
SMILESC[C@H](N)[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,9,12H,11H2,1H3/t6-,9+/m0/s1
InChIKeyOYGPLKFNQHPTBG-IMTBSYHQSA-N
MW185.65 g/mol
LogP1.72
Rot. Bonds2

About (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol

(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol (PubChem CID 28743755) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
PubChem CID28743755
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
SMILESC[C@H](N)[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,9,12H,11H2,1H3/t6-,9+/m0/s1
InChIKeyOYGPLKFNQHPTBG-IMTBSYHQSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 89490748
2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 123406451
(1S,2R)-2-amino-1-(3,5-dichlorophenyl)propan-1-ol
CID 93304578
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol?
The IUPAC name of (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol (CID 28743755) is (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol is C[C@H](N)[C@@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol?
The InChIKey is OYGPLKFNQHPTBG-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,9,12H,11H2,1H3/t6-,9+/m0/s1.
What are the key properties of (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol?
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol has a molecular weight of 185.65 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 28743755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).