3-chloro-2,6-diethylaniline

C10H14ClN — CID 597855

IUPAC3-chloro-2,6-diethylaniline
SMILESCCc1ccc(Cl)c(CC)c1N
InChIInChI=1S/C10H14ClN/c1-3-7-5-6-9(11)8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3
InChIKeyVDJBIPLKIGSVRG-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.05
Rot. Bonds2

About 3-chloro-2,6-diethylaniline

3-chloro-2,6-diethylaniline (PubChem CID 597855) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-chloro-2,6-diethylaniline.

Molecular Properties

Compound Name3-chloro-2,6-diethylaniline
PubChem CID597855
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-chloro-2,6-diethylaniline
SMILESCCc1ccc(Cl)c(CC)c1N
InChIInChI=1S/C10H14ClN/c1-3-7-5-6-9(11)8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3
InChIKeyVDJBIPLKIGSVRG-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2,6-diethylaniline 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-2,6-diethylaniline?
The IUPAC name of 3-chloro-2,6-diethylaniline (CID 597855) is 3-chloro-2,6-diethylaniline.
What is the SMILES notation for 3-chloro-2,6-diethylaniline?
The canonical SMILES for 3-chloro-2,6-diethylaniline is CCc1ccc(Cl)c(CC)c1N.
What is the InChIKey of 3-chloro-2,6-diethylaniline?
The InChIKey is VDJBIPLKIGSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-7-5-6-9(11)8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 3-chloro-2,6-diethylaniline?
3-chloro-2,6-diethylaniline has a molecular weight of 183.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-diethylaniline is sourced from PubChem (CID 597855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).