1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C14H12ClF3N2 — CID 63403125

IUPAC1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1ccc(Cl)cc1Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2/c1-8-2-3-9(15)6-13(8)20-12-5-4-10(19)7-11(12)14(16,17)18/h2-7,20H,19H2,1H3
InChIKeyIWEGCGFRNSUIFG-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.99
Rot. Bonds2

About 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 63403125) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID63403125
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1ccc(Cl)cc1Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2/c1-8-2-3-9(15)6-13(8)20-12-5-4-10(19)7-11(12)14(16,17)18/h2-7,20H,19H2,1H3
InChIKeyIWEGCGFRNSUIFG-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine 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

3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990
1-N-(5-chloro-2-methylphenyl)benzene-1,2,4-triamine
CID 54794972
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590972
1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 66253555
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine
CID 67733046
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036
1-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468899
4-methyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 62590138
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935755

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 63403125) is 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Cc1ccc(Cl)cc1Nc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is IWEGCGFRNSUIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-8-2-3-9(15)6-13(8)20-12-5-4-10(19)7-11(12)14(16,17)18/h2-7,20H,19H2,1H3.
What are the key properties of 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 300.71 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63403125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).