2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline

C15H14ClF2N — CID 107630813

IUPAC2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2cccc(C(F)F)c2)c1
InChIInChI=1S/C15H14ClF2N/c1-10-5-6-13(16)14(7-10)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyBYGGUFQRYHWMCQ-UHFFFAOYSA-N
MW281.73 g/mol
LogP5.20
Rot. Bonds4

About 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline

2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline (PubChem CID 107630813) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
PubChem CID107630813
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2cccc(C(F)F)c2)c1
InChIInChI=1S/C15H14ClF2N/c1-10-5-6-13(16)14(7-10)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyBYGGUFQRYHWMCQ-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.73
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline 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-benzyl-2-chloro-5-methylaniline
CID 83290853
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
CID 115526620
2-chloro-N-[(3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 28542855
3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107635860
N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
CID 113328691
1-N-[[3-(difluoromethyl)phenyl]methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115526242
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
3-[[3-(difluoromethyl)phenyl]methylamino]-2-methylbenzoic acid
CID 115526266
2-chloro-5-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline (CID 107630813) is 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline is Cc1ccc(Cl)c(NCc2cccc(C(F)F)c2)c1.
What is the InChIKey of 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline?
The InChIKey is BYGGUFQRYHWMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10-5-6-13(16)14(7-10)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline?
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline has a molecular weight of 281.73 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline is sourced from PubChem (CID 107630813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).