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

C22H22FNO — CID 7036964

IUPAC(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
SMILESCc1ccc(CNC[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO/c1-17-7-9-18(10-8-17)15-24-16-22(25,19-5-3-2-4-6-19)20-11-13-21(23)14-12-20/h2-14,24-25H,15-16H2,1H3/t22-/m0/s1
InChIKeyAXYNUDBMBNQRFC-QFIPXVFZSA-N
MW335.42 g/mol
LogP4.16
Rot. Bonds6

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

(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol (PubChem CID 7036964) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
PubChem CID7036964
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
SMILESCc1ccc(CNC[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO/c1-17-7-9-18(10-8-17)15-24-16-22(25,19-5-3-2-4-6-19)20-11-13-21(23)14-12-20/h2-14,24-25H,15-16H2,1H3/t22-/m0/s1
InChIKeyAXYNUDBMBNQRFC-QFIPXVFZSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.16
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
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
CID 23656680
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
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
4-[[(2-ethyl-2-phenylbutyl)amino]methyl]benzoic acid
CID 122031703

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol (CID 7036964) is (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol is Cc1ccc(CNC[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol?
The InChIKey is AXYNUDBMBNQRFC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22FNO/c1-17-7-9-18(10-8-17)15-24-16-22(25,19-5-3-2-4-6-19)20-11-13-21(23)14-12-20/h2-14,24-25H,15-16H2,1H3/t22-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol?
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol has a molecular weight of 335.42 g/mol, XLogP of 4.16, 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-methylphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 7036964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).