2-chloroethyl(ethyl)azanium chloride

C4H11Cl2N — CID 20647

IUPAC2-chloroethyl(ethyl)azanium chloride
SMILESCC[NH2+]CCCl.[Cl-]
InChIInChI=1S/C4H10ClN.ClH/c1-2-6-4-3-5;/h6H,2-4H2,1H3;1H
InChIKeyZNPQLXDWQPMSMR-UHFFFAOYSA-N
MW144.05 g/mol
LogP-3.19
Rot. Bonds3

About 2-chloroethyl(ethyl)azanium chloride

2-chloroethyl(ethyl)azanium chloride (PubChem CID 20647) has the molecular formula C4H11Cl2N and a molecular weight of 144.05 g/mol. Its IUPAC name is 2-chloroethyl(ethyl)azanium chloride.

Molecular Properties

Compound Name2-chloroethyl(ethyl)azanium chloride
PubChem CID20647
Molecular FormulaC4H11Cl2N
Molecular Weight144.05 g/mol
Exact Mass143.03
IUPAC Name2-chloroethyl(ethyl)azanium chloride
SMILESCC[NH2+]CCCl.[Cl-]
InChIInChI=1S/C4H10ClN.ClH/c1-2-6-4-3-5;/h6H,2-4H2,1H3;1H
InChIKeyZNPQLXDWQPMSMR-UHFFFAOYSA-N
XLogP-3.19
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 5-3.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloroethyl)amine hydrochloride
CID 522769
Bis(2-chloroethyl)amine
CID 9533
Nor-HN2
CID 13186
1-Propylamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride
CID 3040665
1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride
CID 3060541
(2-Chloroethyl)dimethylamine, chloride
CID 20717
(2-Chloroethyl)(ethyl)amine hydrochloride
CID 13014036
Ethanamine, 2-chloro-N-methyl-, hydrochloride (1:1)
CID 3028223
2-Chloro-N-(2-chloropropyl)propan-1-amine--hydrogen chloride (1/1)
CID 19176
Methyl-ethyl-beta-chloroethylamine hydrochloride
CID 20649
2-Chloroethyl(methyl)azanium;chloride
CID 20651
1,2-Ethanediamine, N-(2-chloroethyl)-, dihydrochloride
CID 21790

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl(ethyl)azanium chloride?
The IUPAC name of 2-chloroethyl(ethyl)azanium chloride (CID 20647) is 2-chloroethyl(ethyl)azanium chloride.
What is the SMILES notation for 2-chloroethyl(ethyl)azanium chloride?
The canonical SMILES for 2-chloroethyl(ethyl)azanium chloride is CC[NH2+]CCCl.[Cl-].
What is the InChIKey of 2-chloroethyl(ethyl)azanium chloride?
The InChIKey is ZNPQLXDWQPMSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-2-6-4-3-5;/h6H,2-4H2,1H3;1H.
What are the key properties of 2-chloroethyl(ethyl)azanium chloride?
2-chloroethyl(ethyl)azanium chloride has a molecular weight of 144.05 g/mol, XLogP of -3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(ethyl)azanium chloride is sourced from PubChem (CID 20647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).