2-chloro-N,N-dimethylethanamine

C4H10ClN — CID 7901

IUPAC2-chloro-N,N-dimethylethanamine
SMILESCN(C)CCCl
InChIInChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
InChIKeyWQMAANNAZKNUDL-UHFFFAOYSA-N
MW107.58 g/mol
LogP0.79
Rot. Bonds2

About 2-chloro-N,N-dimethylethanamine

2-chloro-N,N-dimethylethanamine (PubChem CID 7901) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-chloro-N,N-dimethylethanamine
PubChem CID7901
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name2-chloro-N,N-dimethylethanamine
SMILESCN(C)CCCl
InChIInChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
InChIKeyWQMAANNAZKNUDL-UHFFFAOYSA-N
XLogP0.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.79
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

Mechlorethamine
CID 4033
Tris(2-chloroethyl)amine
CID 5561
Nitrogen mustard hydrochloride
CID 5935
Chlormequat Chloride
CID 13836
Bis(2-chloroethyl)ethylamine
CID 10848
1-Chloro-2-(diethylamine)ethane hydrochloride
CID 13363
Chlorocholine
CID 13837
2-Chloropropyldimethylamine hydrochloride
CID 94294
N,N-Dimethylaminoethyl chloride hydrochloride
CID 11636816
Diethylaminoethyl chloride
CID 13364
Triethylamine, 2,2'-dichloro-, hydrochloride
CID 77142
2-Chloro-N-(2-chloroethyl)-N,N-dimethylethan-1-aminium chloride
CID 45790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylethanamine?
The IUPAC name of 2-chloro-N,N-dimethylethanamine (CID 7901) is 2-chloro-N,N-dimethylethanamine.
What is the SMILES notation for 2-chloro-N,N-dimethylethanamine?
The canonical SMILES for 2-chloro-N,N-dimethylethanamine is CN(C)CCCl.
What is the InChIKey of 2-chloro-N,N-dimethylethanamine?
The InChIKey is WQMAANNAZKNUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethylethanamine?
2-chloro-N,N-dimethylethanamine has a molecular weight of 107.58 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylethanamine is sourced from PubChem (CID 7901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).