N-[(3-chlorophenyl)methyl]-2,6-diethylaniline

C17H20ClN — CID 4712071

IUPACN-[(3-chlorophenyl)methyl]-2,6-diethylaniline
SMILESCCc1cccc(CC)c1NCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-3-14-8-6-9-15(4-2)17(14)19-12-13-7-5-10-16(18)11-13/h5-11,19H,3-4,12H2,1-2H3
InChIKeyYVPPPUOIKILNCJ-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.08
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2,6-diethylaniline

N-[(3-chlorophenyl)methyl]-2,6-diethylaniline (PubChem CID 4712071) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,6-diethylaniline.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,6-diethylaniline
PubChem CID4712071
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2,6-diethylaniline
SMILESCCc1cccc(CC)c1NCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-3-14-8-6-9-15(4-2)17(14)19-12-13-7-5-10-16(18)11-13/h5-11,19H,3-4,12H2,1-2H3
InChIKeyYVPPPUOIKILNCJ-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chlorophenyl)methyl]-2,6-diethylaniline 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-[(3,4-difluorophenyl)methyl]-2,6-diethylaniline
CID 82918896
N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
CID 63490881
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
CID 62327157
3-[(3-chlorophenyl)methylamino]-4-ethoxycyclobut-3-ene-1,2-dione
CID 154854288
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
N-[(3-chlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 43425365
3-(1,3-benzodioxol-5-ylmethylamino)-4-[(3-chlorophenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 86207063

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,6-diethylaniline?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,6-diethylaniline (CID 4712071) is N-[(3-chlorophenyl)methyl]-2,6-diethylaniline.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,6-diethylaniline?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,6-diethylaniline is CCc1cccc(CC)c1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,6-diethylaniline?
The InChIKey is YVPPPUOIKILNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-14-8-6-9-15(4-2)17(14)19-12-13-7-5-10-16(18)11-13/h5-11,19H,3-4,12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,6-diethylaniline?
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline has a molecular weight of 273.81 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,6-diethylaniline is sourced from PubChem (CID 4712071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).