1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol

C21H19F2NO — CID 3844999

IUPAC1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1ccccc1F)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2NO/c22-19-12-10-18(11-13-19)21(25,17-7-2-1-3-8-17)15-24-14-16-6-4-5-9-20(16)23/h1-13,24-25H,14-15H2
InChIKeyJQERPSVWJZOQSY-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol

1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol (PubChem CID 3844999) has the molecular formula C21H19F2NO and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
PubChem CID3844999
Molecular FormulaC21H19F2NO
Molecular Weight339.39 g/mol
Exact Mass339.14
IUPAC Name1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1ccccc1F)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2NO/c22-19-12-10-18(11-13-19)21(25,17-7-2-1-3-8-17)15-24-14-16-6-4-5-9-20(16)23/h1-13,24-25H,14-15H2
InChIKeyJQERPSVWJZOQSY-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
CID 7036964
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol
CID 3724836
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol
CID 62374509
4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
CID 57153727
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol
CID 111498765
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol (CID 3844999) is 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol is OC(CNCc1ccccc1F)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol?
The InChIKey is JQERPSVWJZOQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO/c22-19-12-10-18(11-13-19)21(25,17-7-2-1-3-8-17)15-24-14-16-6-4-5-9-20(16)23/h1-13,24-25H,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol?
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol has a molecular weight of 339.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 3844999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).