2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol

C10H13ClFNO3 — CID 84707099

IUPAC2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
SMILESCOc1c(Cl)cc(C(O)CN)c(OC)c1F
InChIInChI=1S/C10H13ClFNO3/c1-15-9-5(7(14)4-13)3-6(11)10(16-2)8(9)12/h3,7,14H,4,13H2,1-2H3
InChIKeyUACYWFCMZLYXGH-UHFFFAOYSA-N
MW249.67 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol

2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol (PubChem CID 84707099) has the molecular formula C10H13ClFNO3 and a molecular weight of 249.67 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
PubChem CID84707099
Molecular FormulaC10H13ClFNO3
Molecular Weight249.67 g/mol
Exact Mass249.06
IUPAC Name2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
SMILESCOc1c(Cl)cc(C(O)CN)c(OC)c1F
InChIInChI=1S/C10H13ClFNO3/c1-15-9-5(7(14)4-13)3-6(11)10(16-2)8(9)12/h3,7,14H,4,13H2,1-2H3
InChIKeyUACYWFCMZLYXGH-UHFFFAOYSA-N
XLogP1.49
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
CID 117413952
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
CID 83925659
4-amino-4-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)butanoic acid
CID 117445104
3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)butanal
CID 117369112
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol (CID 84707099) is 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol is COc1c(Cl)cc(C(O)CN)c(OC)c1F.
What is the InChIKey of 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol?
The InChIKey is UACYWFCMZLYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3/c1-15-9-5(7(14)4-13)3-6(11)10(16-2)8(9)12/h3,7,14H,4,13H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol?
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol has a molecular weight of 249.67 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 84707099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).