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

C15H13ClF3N — CID 29042343

IUPACN-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClF3N/c16-14-7-3-12(4-8-14)10-20-9-11-1-5-13(6-2-11)15(17,18)19/h1-8,20H,9-10H2
InChIKeyXSFRMZCMCBMHEP-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.65
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 29042343) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID29042343
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClF3N/c16-14-7-3-12(4-8-14)10-20-9-11-1-5-13(6-2-11)15(17,18)19/h1-8,20H,9-10H2
InChIKeyXSFRMZCMCBMHEP-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
N-[(3-chloro-4-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 106816801
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 60702124
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702101
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 29042343) is N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CNCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XSFRMZCMCBMHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c16-14-7-3-12(4-8-14)10-20-9-11-1-5-13(6-2-11)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.72 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 29042343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).