2-chloro-N-(2-chloroethyl)-N-ethylethanamine

C6H13Cl2N — CID 10848

IUPAC2-chloro-N-(2-chloroethyl)-N-ethylethanamine
SMILESCCN(CCCl)CCCl
InChIInChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3
InChIKeyUQZPGHOJMQTOHB-UHFFFAOYSA-N
MW170.08 g/mol
LogP1.79
Rot. Bonds5

About 2-chloro-N-(2-chloroethyl)-N-ethylethanamine

2-chloro-N-(2-chloroethyl)-N-ethylethanamine (PubChem CID 10848) has the molecular formula C6H13Cl2N and a molecular weight of 170.08 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-ethylethanamine
PubChem CID10848
Molecular FormulaC6H13Cl2N
Molecular Weight170.08 g/mol
Exact Mass169.04
IUPAC Name2-chloro-N-(2-chloroethyl)-N-ethylethanamine
SMILESCCN(CCCl)CCCl
InChIInChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3
InChIKeyUQZPGHOJMQTOHB-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-chloroethyl)-N-ethylethanamine 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 2-chloro-N-(2-chloroethyl)-N-ethylethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-ethylethanamine (CID 10848) is 2-chloro-N-(2-chloroethyl)-N-ethylethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-ethylethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-ethylethanamine is CCN(CCCl)CCCl.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-ethylethanamine?
The InChIKey is UQZPGHOJMQTOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-ethylethanamine?
2-chloro-N-(2-chloroethyl)-N-ethylethanamine has a molecular weight of 170.08 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-ethylethanamine is sourced from PubChem (CID 10848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).