6-chloro-N,2,3-trimethylaniline

C9H12ClN — CID 131129366

IUPAC6-chloro-N,2,3-trimethylaniline
SMILESCNc1c(Cl)ccc(C)c1C
InChIInChI=1S/C9H12ClN/c1-6-4-5-8(10)9(11-3)7(6)2/h4-5,11H,1-3H3
InChIKeyPRHCJECMIURRBD-UHFFFAOYSA-N
MW169.65 g/mol
LogP3.00
Rot. Bonds1

About 6-chloro-N,2,3-trimethylaniline

6-chloro-N,2,3-trimethylaniline (PubChem CID 131129366) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 6-chloro-N,2,3-trimethylaniline.

Molecular Properties

Compound Name6-chloro-N,2,3-trimethylaniline
PubChem CID131129366
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name6-chloro-N,2,3-trimethylaniline
SMILESCNc1c(Cl)ccc(C)c1C
InChIInChI=1S/C9H12ClN/c1-6-4-5-8(10)9(11-3)7(6)2/h4-5,11H,1-3H3
InChIKeyPRHCJECMIURRBD-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-N,2,3-trimethylaniline 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 6-chloro-N,2,3-trimethylaniline?
The IUPAC name of 6-chloro-N,2,3-trimethylaniline (CID 131129366) is 6-chloro-N,2,3-trimethylaniline.
What is the SMILES notation for 6-chloro-N,2,3-trimethylaniline?
The canonical SMILES for 6-chloro-N,2,3-trimethylaniline is CNc1c(Cl)ccc(C)c1C.
What is the InChIKey of 6-chloro-N,2,3-trimethylaniline?
The InChIKey is PRHCJECMIURRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-6-4-5-8(10)9(11-3)7(6)2/h4-5,11H,1-3H3.
What are the key properties of 6-chloro-N,2,3-trimethylaniline?
6-chloro-N,2,3-trimethylaniline has a molecular weight of 169.65 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2,3-trimethylaniline is sourced from PubChem (CID 131129366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).