[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine

C15H14F3NO — CID 155804267

IUPAC[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCc1ccc(-c2ccccc2OC(F)(F)F)cc1CN
InChIInChI=1S/C15H14F3NO/c1-10-6-7-11(8-12(10)9-19)13-4-2-3-5-14(13)20-15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyDXGRLHVGWQMTOM-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.02
Rot. Bonds3

About [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine

[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 155804267) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID155804267
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCc1ccc(-c2ccccc2OC(F)(F)F)cc1CN
InChIInChI=1S/C15H14F3NO/c1-10-6-7-11(8-12(10)9-19)13-4-2-3-5-14(13)20-15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyDXGRLHVGWQMTOM-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-methyl-5-[2-(trifluoromethoxy)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

[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 166611069
[5-(3-fluoro-2-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649966
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649980
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine
CID 79484440
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 155804267) is [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine is Cc1ccc(-c2ccccc2OC(F)(F)F)cc1CN.
What is the InChIKey of [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is DXGRLHVGWQMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-6-7-11(8-12(10)9-19)13-4-2-3-5-14(13)20-15(16,17)18/h2-8H,9,19H2,1H3.
What are the key properties of [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 281.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 155804267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).