N-benzyl-2-chloro-5-methylaniline

C14H14ClN — CID 83290853

IUPACN-benzyl-2-chloro-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccccc2)c1
InChIInChI=1S/C14H14ClN/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyIEFXRRYSEVUHMR-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.26
Rot. Bonds3

About N-benzyl-2-chloro-5-methylaniline

N-benzyl-2-chloro-5-methylaniline (PubChem CID 83290853) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-methylaniline.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-methylaniline
PubChem CID83290853
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC NameN-benzyl-2-chloro-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccccc2)c1
InChIInChI=1S/C14H14ClN/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyIEFXRRYSEVUHMR-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2-chloro-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

2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813
3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107635860
2-chloro-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107630649
N-benzyl-2-bromo-4-methylaniline
CID 11242845
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
4-chloro-3-[(4-methylphenyl)methylamino]benzoic acid
CID 17058925
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
CID 107634326
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
2-chloro-N-[(3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 28542855

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-methylaniline?
The IUPAC name of N-benzyl-2-chloro-5-methylaniline (CID 83290853) is N-benzyl-2-chloro-5-methylaniline.
What is the SMILES notation for N-benzyl-2-chloro-5-methylaniline?
The canonical SMILES for N-benzyl-2-chloro-5-methylaniline is Cc1ccc(Cl)c(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-chloro-5-methylaniline?
The InChIKey is IEFXRRYSEVUHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-11-7-8-13(15)14(9-11)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-2-chloro-5-methylaniline?
N-benzyl-2-chloro-5-methylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-methylaniline is sourced from PubChem (CID 83290853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).