2-chloro-N,N-diethylethanamine

C6H14ClN — CID 13364

IUPAC2-chloro-N,N-diethylethanamine
SMILESCCN(CC)CCCl
InChIInChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3
InChIKeyYMDNODNLFSHHCV-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.57
Rot. Bonds4

About 2-chloro-N,N-diethylethanamine

2-chloro-N,N-diethylethanamine (PubChem CID 13364) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 2-chloro-N,N-diethylethanamine.

Molecular Properties

Compound Name2-chloro-N,N-diethylethanamine
PubChem CID13364
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name2-chloro-N,N-diethylethanamine
SMILESCCN(CC)CCCl
InChIInChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3
InChIKeyYMDNODNLFSHHCV-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N,N-diethylethanamine 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,N-diethylethanamine?
The IUPAC name of 2-chloro-N,N-diethylethanamine (CID 13364) is 2-chloro-N,N-diethylethanamine.
What is the SMILES notation for 2-chloro-N,N-diethylethanamine?
The canonical SMILES for 2-chloro-N,N-diethylethanamine is CCN(CC)CCCl.
What is the InChIKey of 2-chloro-N,N-diethylethanamine?
The InChIKey is YMDNODNLFSHHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethylethanamine?
2-chloro-N,N-diethylethanamine has a molecular weight of 135.64 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylethanamine is sourced from PubChem (CID 13364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).