1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C15H13F4N — CID 834369

IUPAC1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F4N/c16-13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(17,18)19/h1-8,20H,9-10H2
InChIKeyXSTUZMCAOOCKKL-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 834369) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID834369
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F4N/c16-13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(17,18)19/h1-8,20H,9-10H2
InChIKeyXSTUZMCAOOCKKL-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
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
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60980661
[2-[[(4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 110906091
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
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 834369) is 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is Fc1ccc(CNCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is XSTUZMCAOOCKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c16-13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 283.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 834369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).