N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline

C16H18ClN — CID 54798399

IUPACN-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-3-14-6-4-5-12(2)16(14)18-11-13-7-9-15(17)10-8-13/h4-10,18H,3,11H2,1-2H3
InChIKeyYJAGZGJVVHIXFY-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.82
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline

N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline (PubChem CID 54798399) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
PubChem CID54798399
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-3-14-6-4-5-12(2)16(14)18-11-13-7-9-15(17)10-8-13/h4-10,18H,3,11H2,1-2H3
InChIKeyYJAGZGJVVHIXFY-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-chlorophenyl)methyl]-2-ethyl-6-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-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 109002951
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline
CID 110652457
N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
CID 63490881
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
N-[(3,4-difluorophenyl)methyl]-2,6-diethylaniline
CID 82918896
N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448610

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline (CID 54798399) is N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline?
The InChIKey is YJAGZGJVVHIXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-3-14-6-4-5-12(2)16(14)18-11-13-7-9-15(17)10-8-13/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline?
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline has a molecular weight of 259.78 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 54798399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).