2-chloro-N,N-dimethylaniline

C8H10ClN — CID 12772

IUPAC2-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccccc1Cl
InChIInChI=1S/C8H10ClN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyQDCPXCIPVQJVDD-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.41
Rot. Bonds1

About 2-chloro-N,N-dimethylaniline

2-chloro-N,N-dimethylaniline (PubChem CID 12772) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-chloro-N,N-dimethylaniline
PubChem CID12772
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name2-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccccc1Cl
InChIInChI=1S/C8H10ClN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyQDCPXCIPVQJVDD-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylaniline?
The IUPAC name of 2-chloro-N,N-dimethylaniline (CID 12772) is 2-chloro-N,N-dimethylaniline.
What is the SMILES notation for 2-chloro-N,N-dimethylaniline?
The canonical SMILES for 2-chloro-N,N-dimethylaniline is CN(C)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethylaniline?
The InChIKey is QDCPXCIPVQJVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethylaniline?
2-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 2-chloro-N,N-dimethylaniline is sourced from PubChem (CID 12772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).