(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol

C9H12ClNO2 — CID 66514098

IUPAC(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](N)CO)c(Cl)c1
InChIInChI=1S/C9H12ClNO2/c1-13-6-2-3-7(8(10)4-6)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyRKFJULZVYGOVPL-SECBINFHSA-N
MW201.65 g/mol
LogP1.34
Rot. Bonds3

About (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol

(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol (PubChem CID 66514098) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
PubChem CID66514098
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](N)CO)c(Cl)c1
InChIInChI=1S/C9H12ClNO2/c1-13-6-2-3-7(8(10)4-6)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyRKFJULZVYGOVPL-SECBINFHSA-N
XLogP1.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(3R)-3-amino-3-(2-chloro-4-methoxyphenyl)propanenitrile
CID 130644013
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
CID 83887856
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
2-(1-amino-2-hydroxyethyl)-5-methoxybenzonitrile
CID 130001937
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol (CID 66514098) is (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol is COc1ccc([C@H](N)CO)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol?
The InChIKey is RKFJULZVYGOVPL-SECBINFHSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-13-6-2-3-7(8(10)4-6)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol?
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol has a molecular weight of 201.65 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 66514098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).