(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol

C9H12ClNO2 — CID 42579768

IUPAC(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5,11H2,1H3/t8-/m0/s1
InChIKeyCBAZHIJEXPNXOM-QMMMGPOBSA-N
MW201.65 g/mol
LogP1.34
Rot. Bonds3

About (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol

(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol (PubChem CID 42579768) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
PubChem CID42579768
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5,11H2,1H3/t8-/m0/s1
InChIKeyCBAZHIJEXPNXOM-QMMMGPOBSA-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

2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
(1R)-1-(3-chloro-4-methoxyphenyl)but-3-en-1-amine
CID 170896629
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol (CID 42579768) is (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol is COc1ccc([C@@H](N)CO)cc1Cl.
What is the InChIKey of (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol?
The InChIKey is CBAZHIJEXPNXOM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5,11H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol?
(2R)-2-amino-2-(3-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 (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 42579768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).