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

C15H13F4N — CID 115790064

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F4N/c1-9-3-2-4-10(7-9)14(20)11-5-6-13(16)12(8-11)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeySMTQDYMOMKRZLC-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.20
Rot. Bonds2

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

[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine (PubChem CID 115790064) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
PubChem CID115790064
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F4N/c1-9-3-2-4-10(7-9)14(20)11-5-6-13(16)12(8-11)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeySMTQDYMOMKRZLC-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)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

[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine
CID 105284949

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine (CID 115790064) is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine is Cc1cccc(C(N)c2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine?
The InChIKey is SMTQDYMOMKRZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-9-3-2-4-10(7-9)14(20)11-5-6-13(16)12(8-11)15(17,18)19/h2-8,14H,20H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine?
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine has a molecular weight of 283.27 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine is sourced from PubChem (CID 115790064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).