2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol

C22H21F3N2O — CID 10068719

IUPAC2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1ccc(-c2ccccc2C(F)(F)F)nc1)CC(O)c1ccccc1
InChIInChI=1S/C22H21F3N2O/c1-27(15-21(28)17-7-3-2-4-8-17)14-16-11-12-20(26-13-16)18-9-5-6-10-19(18)22(23,24)25/h2-13,21,28H,14-15H2,1H3
InChIKeyAUMXSLYVCQKMHD-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.93
Rot. Bonds6

About 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol

2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol (PubChem CID 10068719) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol
PubChem CID10068719
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1ccc(-c2ccccc2C(F)(F)F)nc1)CC(O)c1ccccc1
InChIInChI=1S/C22H21F3N2O/c1-27(15-21(28)17-7-3-2-4-8-17)14-16-11-12-20(26-13-16)18-9-5-6-10-19(18)22(23,24)25/h2-13,21,28H,14-15H2,1H3
InChIKeyAUMXSLYVCQKMHD-UHFFFAOYSA-N
XLogP4.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol (CID 10068719) is 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol is CN(Cc1ccc(-c2ccccc2C(F)(F)F)nc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol?
The InChIKey is AUMXSLYVCQKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O/c1-27(15-21(28)17-7-3-2-4-8-17)14-16-11-12-20(26-13-16)18-9-5-6-10-19(18)22(23,24)25/h2-13,21,28H,14-15H2,1H3.
What are the key properties of 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol?
2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol has a molecular weight of 386.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-1-phenylethanol is sourced from PubChem (CID 10068719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).