2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol

C15H14ClF2NO — CID 62538937

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClF2NO/c16-13-7-10(1-6-14(13)18)8-19-9-15(20)11-2-4-12(17)5-3-11/h1-7,15,19-20H,8-9H2
InChIKeyHXQQEMRCGPOYAK-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.44
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol

2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 62538937) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID62538937
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClF2NO/c16-13-7-10(1-6-14(13)18)8-19-9-15(20)11-2-4-12(17)5-3-11/h1-7,15,19-20H,8-9H2
InChIKeyHXQQEMRCGPOYAK-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-[(4-chloro-3-nitrophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875476
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
1-[(3-chloro-4-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 113338450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol (CID 62538937) is 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol is OC(CNCc1ccc(F)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is HXQQEMRCGPOYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-13-7-10(1-6-14(13)18)8-19-9-15(20)11-2-4-12(17)5-3-11/h1-7,15,19-20H,8-9H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol?
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 297.73 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 62538937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).