2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol

C23H22F3NO — CID 10249485

IUPAC2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C23H22F3NO/c1-27(16-22(28)19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)23(24,25)26/h2-14,22,28H,15-16H2,1H3
InChIKeyRIXQDHACOHGLCV-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.54
Rot. Bonds6

About 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol

2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol (PubChem CID 10249485) has the molecular formula C23H22F3NO and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol
PubChem CID10249485
Molecular FormulaC23H22F3NO
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C23H22F3NO/c1-27(16-22(28)19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)23(24,25)26/h2-14,22,28H,15-16H2,1H3
InChIKeyRIXQDHACOHGLCV-UHFFFAOYSA-N
XLogP5.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol (CID 10249485) is 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol is CN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol?
The InChIKey is RIXQDHACOHGLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO/c1-27(16-22(28)19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)23(24,25)26/h2-14,22,28H,15-16H2,1H3.
What are the key properties of 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol?
2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol has a molecular weight of 385.43 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-phenylethanol is sourced from PubChem (CID 10249485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).