3-chloro-N,4-dimethylaniline

C8H10ClN — CID 20616113

IUPAC3-chloro-N,4-dimethylaniline
SMILESCNc1ccc(C)c(Cl)c1
InChIInChI=1S/C8H10ClN/c1-6-3-4-7(10-2)5-8(6)9/h3-5,10H,1-2H3
InChIKeyJDGUVFZDTYKQJS-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.69
Rot. Bonds1

About 3-chloro-N,4-dimethylaniline

3-chloro-N,4-dimethylaniline (PubChem CID 20616113) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 3-chloro-N,4-dimethylaniline.

Molecular Properties

Compound Name3-chloro-N,4-dimethylaniline
PubChem CID20616113
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name3-chloro-N,4-dimethylaniline
SMILESCNc1ccc(C)c(Cl)c1
InChIInChI=1S/C8H10ClN/c1-6-3-4-7(10-2)5-8(6)9/h3-5,10H,1-2H3
InChIKeyJDGUVFZDTYKQJS-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-dimethylaniline?
The IUPAC name of 3-chloro-N,4-dimethylaniline (CID 20616113) is 3-chloro-N,4-dimethylaniline.
What is the SMILES notation for 3-chloro-N,4-dimethylaniline?
The canonical SMILES for 3-chloro-N,4-dimethylaniline is CNc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N,4-dimethylaniline?
The InChIKey is JDGUVFZDTYKQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-3-4-7(10-2)5-8(6)9/h3-5,10H,1-2H3.
What are the key properties of 3-chloro-N,4-dimethylaniline?
3-chloro-N,4-dimethylaniline has a molecular weight of 155.63 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,4-dimethylaniline is sourced from PubChem (CID 20616113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).