2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol

C9H10ClF2NO2 — CID 84700339

IUPAC2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
SMILESCOc1c(Cl)cc(C(N)CO)c(F)c1F
InChIInChI=1S/C9H10ClF2NO2/c1-15-9-5(10)2-4(6(13)3-14)7(11)8(9)12/h2,6,14H,3,13H2,1H3
InChIKeyOGKULJCOMQJBSO-UHFFFAOYSA-N
MW237.63 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol

2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol (PubChem CID 84700339) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
PubChem CID84700339
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
SMILESCOc1c(Cl)cc(C(N)CO)c(F)c1F
InChIInChI=1S/C9H10ClF2NO2/c1-15-9-5(10)2-4(6(13)3-14)7(11)8(9)12/h2,6,14H,3,13H2,1H3
InChIKeyOGKULJCOMQJBSO-UHFFFAOYSA-N
XLogP1.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
CID 82608026
2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
CID 117413952
2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117372574
4-amino-4-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)butanoic acid
CID 117445104
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol (CID 84700339) is 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol is COc1c(Cl)cc(C(N)CO)c(F)c1F.
What is the InChIKey of 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol?
The InChIKey is OGKULJCOMQJBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-15-9-5(10)2-4(6(13)3-14)7(11)8(9)12/h2,6,14H,3,13H2,1H3.
What are the key properties of 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol?
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol has a molecular weight of 237.63 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 84700339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).