1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol

C15H14ClF2NO — CID 110888261

IUPAC1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2NO/c16-12-3-1-11(2-4-12)15(20)9-19-8-10-5-13(17)7-14(18)6-10/h1-7,15,19-20H,8-9H2
InChIKeySCOOAKNWCUUEIY-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol (PubChem CID 110888261) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
PubChem CID110888261
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2NO/c16-12-3-1-11(2-4-12)15(20)9-19-8-10-5-13(17)7-14(18)6-10/h1-7,15,19-20H,8-9H2
InChIKeySCOOAKNWCUUEIY-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-(4-fluorophenyl)ethanol
CID 62538937
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 118343085
4-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355702
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol (CID 110888261) is 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol is OC(CNCc1cc(F)cc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
The InChIKey is SCOOAKNWCUUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-12-3-1-11(2-4-12)15(20)9-19-8-10-5-13(17)7-14(18)6-10/h1-7,15,19-20H,8-9H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]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 1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol is sourced from PubChem (CID 110888261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).