2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine

C7H17Cl3N2 — CID 88597447

IUPAC2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine
SMILESCCNCl.CN(CCCl)CCCl
InChIInChI=1S/C5H11Cl2N.C2H6ClN/c1-8(4-2-6)5-3-7;1-2-4-3/h2-5H2,1H3;4H,2H2,1H3
InChIKeyUGZAWNJOCQUWCL-UHFFFAOYSA-N
MW235.59 g/mol
LogP2.15
Rot. Bonds5

About 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine

2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine (PubChem CID 88597447) has the molecular formula C7H17Cl3N2 and a molecular weight of 235.59 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine
PubChem CID88597447
Molecular FormulaC7H17Cl3N2
Molecular Weight235.59 g/mol
Exact Mass234.05
IUPAC Name2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine
SMILESCCNCl.CN(CCCl)CCCl
InChIInChI=1S/C5H11Cl2N.C2H6ClN/c1-8(4-2-6)5-3-7;1-2-4-3/h2-5H2,1H3;4H,2H2,1H3
InChIKeyUGZAWNJOCQUWCL-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.59
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine (CID 88597447) is 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine is CCNCl.CN(CCCl)CCCl.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine?
The InChIKey is UGZAWNJOCQUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N.C2H6ClN/c1-8(4-2-6)5-3-7;1-2-4-3/h2-5H2,1H3;4H,2H2,1H3.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine?
2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine has a molecular weight of 235.59 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine is sourced from PubChem (CID 88597447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).