2-chloro-N,N-dimethylethanamine;hydrochloride

C4H11Cl2N — CID 11636816

IUPAC2-chloro-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKeyLQLJZSJKRYTKTP-UHFFFAOYSA-N
MW144.04 g/mol
LogP1.21
Rot. Bonds2

About 2-chloro-N,N-dimethylethanamine;hydrochloride

2-chloro-N,N-dimethylethanamine;hydrochloride (PubChem CID 11636816) has the molecular formula C4H11Cl2N and a molecular weight of 144.04 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethylethanamine;hydrochloride
PubChem CID11636816
Molecular FormulaC4H11Cl2N
Molecular Weight144.04 g/mol
Exact Mass143.03
IUPAC Name2-chloro-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKeyLQLJZSJKRYTKTP-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-chloro-N,N-dimethylethanamine;hydrochloride (CID 11636816) is 2-chloro-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethylethanamine;hydrochloride is CN(C)CCCl.Cl.
What is the InChIKey of 2-chloro-N,N-dimethylethanamine;hydrochloride?
The InChIKey is LQLJZSJKRYTKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H.
What are the key properties of 2-chloro-N,N-dimethylethanamine;hydrochloride?
2-chloro-N,N-dimethylethanamine;hydrochloride has a molecular weight of 144.04 g/mol, XLogP of 1.21, 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;hydrochloride is sourced from PubChem (CID 11636816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).