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

C5H11Cl2N — CID 4033

IUPAC2-chloro-N-(2-chloroethyl)-N-methylethanamine
SMILESCN(CCCl)CCCl
InChIInChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
InChIKeyHAWPXGHAZFHHAD-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.40
Rot. Bonds4

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

2-chloro-N-(2-chloroethyl)-N-methylethanamine (PubChem CID 4033) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-methylethanamine
PubChem CID4033
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name2-chloro-N-(2-chloroethyl)-N-methylethanamine
SMILESCN(CCCl)CCCl
InChIInChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
InChIKeyHAWPXGHAZFHHAD-UHFFFAOYSA-N
XLogP1.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tris(2-chloroethyl)amine
CID 5561
Nitrogen mustard hydrochloride
CID 5935
Chlormequat Chloride
CID 13836
Bis(2-chloroethyl)ethylamine
CID 10848
Mechlorethamine Oxide Hydrochloride
CID 9334
Chlorocholine
CID 13837
Mechlorethamine Oxide
CID 9335
1-Chloro-2-(diethylamine)ethane hydrochloride
CID 13363
2-Chloro-N,N-dimethylethylamine
CID 7901
2-Chloropropyldimethylamine hydrochloride
CID 94294
N,N-Dimethylaminoethyl chloride hydrochloride
CID 11636816
Diethylaminoethyl chloride
CID 13364

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-methylethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-methylethanamine (CID 4033) is 2-chloro-N-(2-chloroethyl)-N-methylethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-methylethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-methylethanamine is CN(CCCl)CCCl.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-methylethanamine?
The InChIKey is HAWPXGHAZFHHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-methylethanamine?
2-chloro-N-(2-chloroethyl)-N-methylethanamine has a molecular weight of 156.06 g/mol, XLogP of 1.40, 4 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-methylethanamine is sourced from PubChem (CID 4033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).