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

C15H13ClF3NO — CID 62538794

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNCc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-5-9(1-3-12(11)17)7-20-8-15(21)10-2-4-13(18)14(19)6-10/h1-6,15,20-21H,7-8H2
InChIKeyBVDZQGMHBPCPDV-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.58
Rot. Bonds5

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

2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol (PubChem CID 62538794) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
PubChem CID62538794
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNCc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-5-9(1-3-12(11)17)7-20-8-15(21)10-2-4-13(18)14(19)6-10/h1-6,15,20-21H,7-8H2
InChIKeyBVDZQGMHBPCPDV-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.58
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
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethanol
CID 81160048
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-[(3-chloro-4-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 113338450
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62537604
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62538415
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol (CID 62538794) is 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol is OC(CNCc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol?
The InChIKey is BVDZQGMHBPCPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-5-9(1-3-12(11)17)7-20-8-15(21)10-2-4-13(18)14(19)6-10/h1-6,15,20-21H,7-8H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol?
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol has a molecular weight of 315.72 g/mol, XLogP of 3.58, 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-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 62538794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).