N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine

C16H13F6N — CID 42776865

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESFC(F)(F)c1cc(CNCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N/c17-15(18,19)13-6-12(7-14(8-13)16(20,21)22)10-23-9-11-4-2-1-3-5-11/h1-8,23H,9-10H2
InChIKeyWXXLYPITVCECCX-UHFFFAOYSA-N
MW333.28 g/mol
LogP5.01
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (PubChem CID 42776865) has the molecular formula C16H13F6N and a molecular weight of 333.28 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
PubChem CID42776865
Molecular FormulaC16H13F6N
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESFC(F)(F)c1cc(CNCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N/c17-15(18,19)13-6-12(7-14(8-13)16(20,21)22)10-23-9-11-4-2-1-3-5-11/h1-8,23H,9-10H2
InChIKeyWXXLYPITVCECCX-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 18426652
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]methanamine
CID 73357023

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (CID 42776865) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is FC(F)(F)c1cc(CNCc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is WXXLYPITVCECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N/c17-15(18,19)13-6-12(7-14(8-13)16(20,21)22)10-23-9-11-4-2-1-3-5-11/h1-8,23H,9-10H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 333.28 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 42776865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).