N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline

C14H12ClF3N2 — CID 66385827

IUPACN-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
SMILESNc1ccccc1CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2/c15-10-5-6-13(11(7-10)14(16,17)18)20-8-9-3-1-2-4-12(9)19/h1-7,20H,8,19H2
InChIKeyHCNHCWRJGLDIHP-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.55
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline

N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline (PubChem CID 66385827) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
PubChem CID66385827
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC NameN-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
SMILESNc1ccccc1CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2/c15-10-5-6-13(11(7-10)14(16,17)18)20-8-9-3-1-2-4-12(9)19/h1-7,20H,8,19H2
InChIKeyHCNHCWRJGLDIHP-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline 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

N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline
CID 65485190
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
CID 81262192
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 63419212
4-chloro-5-fluoro-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 66078811
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147
2-[(2-chloroanilino)methyl]aniline
CID 66387029
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28877405
N-[(2-aminophenyl)methyl]-5-chloro-2-nitroaniline
CID 66386269
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline (CID 66385827) is N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline is Nc1ccccc1CNc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline?
The InChIKey is HCNHCWRJGLDIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c15-10-5-6-13(11(7-10)14(16,17)18)20-8-9-3-1-2-4-12(9)19/h1-7,20H,8,19H2.
What are the key properties of N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline?
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline has a molecular weight of 300.71 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline is sourced from PubChem (CID 66385827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).