[4-[3-(trifluoromethyl)phenyl]phenyl]methanamine

C14H12F3N — CID 1394249

IUPAC[4-[3-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3N/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-8H,9,18H2
InChIKeyJQLZMRAHLKTQOJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.83
Rot. Bonds2

About [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine

[4-[3-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 1394249) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID1394249
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name[4-[3-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3N/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-8H,9,18H2
InChIKeyJQLZMRAHLKTQOJ-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine 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

1,3-Benzenedimethanamine
CID 15133
Benzhydrylamine
CID 7036
Phenethylamine, m-trifluoromethyl-
CID 104223
3-Methylbenzylamine
CID 66015
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
1-Naphthalenemethanamine
CID 8355
1-Biphenyl-2-ylmethanamine
CID 263366
1,2-Diphenylethylamine
CID 26482
4-Phenylbenzylamine
CID 344989
3-(Trifluoromethyl)benzylamine
CID 75962
4-(Trifluoromethyl)benzylamine
CID 76804
4-Isopropylbenzylamine
CID 138221

Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine (CID 1394249) is [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is JQLZMRAHLKTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-8H,9,18H2.
What are the key properties of [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
[4-[3-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 251.25 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 1394249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).