3-chloro-N,N-dimethylaniline

C8H10ClN — CID 23285

IUPAC3-chloro-N,N-dimethylaniline
SMILESCN(C)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyCHHCCYVOJBBCIY-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.41
Rot. Bonds1

About 3-chloro-N,N-dimethylaniline

3-chloro-N,N-dimethylaniline (PubChem CID 23285) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 3-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethylaniline
PubChem CID23285
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name3-chloro-N,N-dimethylaniline
SMILESCN(C)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyCHHCCYVOJBBCIY-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethylaniline?
The IUPAC name of 3-chloro-N,N-dimethylaniline (CID 23285) is 3-chloro-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-N,N-dimethylaniline is CN(C)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N,N-dimethylaniline?
The InChIKey is CHHCCYVOJBBCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of 3-chloro-N,N-dimethylaniline?
3-chloro-N,N-dimethylaniline has a molecular weight of 155.63 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethylaniline is sourced from PubChem (CID 23285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).