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

C9H12ClNO2 — CID 82608026

IUPAC2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
SMILESCOc1c(Cl)cccc1C(N)CO
InChIInChI=1S/C9H12ClNO2/c1-13-9-6(8(11)5-12)3-2-4-7(9)10/h2-4,8,12H,5,11H2,1H3
InChIKeyOZLKFPHGOKUPQA-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.34
Rot. Bonds3

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

2-amino-2-(3-chloro-2-methoxyphenyl)ethanol (PubChem CID 82608026) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
PubChem CID82608026
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
SMILESCOc1c(Cl)cccc1C(N)CO
InChIInChI=1S/C9H12ClNO2/c1-13-9-6(8(11)5-12)3-2-4-7(9)10/h2-4,8,12H,5,11H2,1H3
InChIKeyOZLKFPHGOKUPQA-UHFFFAOYSA-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

(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83689427
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
(1S)-1-(3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 55270391
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
CID 66515135
3-bromo-1-(3-chloro-2-methoxyphenyl)propane-1,2-diol
CID 171861207
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 82619390

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol (CID 82608026) is 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol is COc1c(Cl)cccc1C(N)CO.
What is the InChIKey of 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol?
The InChIKey is OZLKFPHGOKUPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-13-9-6(8(11)5-12)3-2-4-7(9)10/h2-4,8,12H,5,11H2,1H3.
What are the key properties of 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol?
2-amino-2-(3-chloro-2-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 2-amino-2-(3-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 82608026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).