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

C21H19F2NO — CID 1470738

IUPAC(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
SMILESO[C@@](CNCc1ccc(F)cc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2NO/c22-19-10-6-16(7-11-19)14-24-15-21(25,17-4-2-1-3-5-17)18-8-12-20(23)13-9-18/h1-13,24-25H,14-15H2/t21-/m0/s1
InChIKeyRSFCFZRQLAZGQT-NRFANRHFSA-N
MW339.39 g/mol
LogP3.99
Rot. Bonds6

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

(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol (PubChem CID 1470738) has the molecular formula C21H19F2NO and a molecular weight of 339.39 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
PubChem CID1470738
Molecular FormulaC21H19F2NO
Molecular Weight339.39 g/mol
Exact Mass339.14
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
SMILESO[C@@](CNCc1ccc(F)cc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2NO/c22-19-10-6-16(7-11-19)14-24-15-21(25,17-4-2-1-3-5-17)18-8-12-20(23)13-9-18/h1-13,24-25H,14-15H2/t21-/m0/s1
InChIKeyRSFCFZRQLAZGQT-NRFANRHFSA-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-methylphenyl)methylamino]-1-phenylethanol
CID 7036964
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 75176308
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol
CID 3724836
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 165448439

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol (CID 1470738) is (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol is O[C@@](CNCc1ccc(F)cc1)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol?
The InChIKey is RSFCFZRQLAZGQT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19F2NO/c22-19-10-6-16(7-11-19)14-24-15-21(25,17-4-2-1-3-5-17)18-8-12-20(23)13-9-18/h1-13,24-25H,14-15H2/t21-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol?
(1S)-1-(4-fluorophenyl)-2-[(4-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 (1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 1470738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).