1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride

C16H17ClF3N — CID 17332531

IUPAC1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccccc2C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H16F3N.ClH/c1-12-6-8-13(9-7-12)10-20-11-14-4-2-3-5-15(14)16(17,18)19;/h2-9,20H,10-11H2,1H3;1H
InChIKeyAQUOUDXQPLZFKG-UHFFFAOYSA-N
MW315.77 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride

1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride (PubChem CID 17332531) has the molecular formula C16H17ClF3N and a molecular weight of 315.77 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
PubChem CID17332531
Molecular FormulaC16H17ClF3N
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccccc2C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H16F3N.ClH/c1-12-6-8-13(9-7-12)10-20-11-14-4-2-3-5-15(14)16(17,18)19;/h2-9,20H,10-11H2,1H3;1H
InChIKeyAQUOUDXQPLZFKG-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60980661
1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
1-(1,3-benzodioxol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 3769404

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride (CID 17332531) is 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride is Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
The InChIKey is AQUOUDXQPLZFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N.ClH/c1-12-6-8-13(9-7-12)10-20-11-14-4-2-3-5-15(14)16(17,18)19;/h2-9,20H,10-11H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride has a molecular weight of 315.77 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17332531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).