3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline

C15H15Cl2N — CID 28946393

IUPAC3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1cccc(Cl)c1CCl
InChIInChI=1S/C15H15Cl2N/c1-2-18(12-7-4-3-5-8-12)15-10-6-9-14(17)13(15)11-16/h3-10H,2,11H2,1H3
InChIKeyFFXVFLLSUIMVJF-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.24
Rot. Bonds4

About 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline

3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline (PubChem CID 28946393) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline
PubChem CID28946393
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1cccc(Cl)c1CCl
InChIInChI=1S/C15H15Cl2N/c1-2-18(12-7-4-3-5-8-12)15-10-6-9-14(17)13(15)11-16/h3-10H,2,11H2,1H3
InChIKeyFFXVFLLSUIMVJF-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline 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

3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493
3-(N-[3-chloro-2-(chloromethyl)phenyl]anilino)propanenitrile
CID 28946406
3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551401
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
5-chloro-6-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 63445506
2-(bromomethyl)-3-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 107079222
3-(N-ethylanilino)-2-methylphenol
CID 68824539
3-chloro-2-(chloromethyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79476970
3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline
CID 43541411
3-chloro-2-(chloromethyl)-N-methyl-N-pentan-2-ylaniline
CID 43572356
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline?
The IUPAC name of 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline (CID 28946393) is 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline?
The canonical SMILES for 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline is CCN(c1ccccc1)c1cccc(Cl)c1CCl.
What is the InChIKey of 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline?
The InChIKey is FFXVFLLSUIMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-2-18(12-7-4-3-5-8-12)15-10-6-9-14(17)13(15)11-16/h3-10H,2,11H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline?
3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline has a molecular weight of 280.20 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline is sourced from PubChem (CID 28946393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).