1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine

C15H15F3N2 — CID 60925358

IUPAC1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2/c1-10-2-4-11(5-3-10)9-20-14-7-6-12(19)8-13(14)15(16,17)18/h2-8,20H,9,19H2,1H3
InChIKeyFETLPWVYKUMWBX-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.21
Rot. Bonds3

About 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine

1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 60925358) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID60925358
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2/c1-10-2-4-11(5-3-10)9-20-14-7-6-12(19)8-13(14)15(16,17)18/h2-8,20H,9,19H2,1H3
InChIKeyFETLPWVYKUMWBX-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54982328
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
1-N-(2-methyl-2-methylsulfanylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 113478588
4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
CID 152566871
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine (CID 60925358) is 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine is Cc1ccc(CNc2ccc(N)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is FETLPWVYKUMWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-2-4-11(5-3-10)9-20-14-7-6-12(19)8-13(14)15(16,17)18/h2-8,20H,9,19H2,1H3.
What are the key properties of 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 280.29 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 60925358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).