2-chloro-N-ethylethanamine

C4H10ClN — CID 20648

IUPAC2-chloro-N-ethylethanamine
SMILESCCNCCCl
InChIInChI=1S/C4H10ClN/c1-2-6-4-3-5/h6H,2-4H2,1H3
InChIKeyCKMRQPQTHYMMPY-UHFFFAOYSA-N
MW107.58 g/mol
LogP0.83
Rot. Bonds3

About 2-chloro-N-ethylethanamine

2-chloro-N-ethylethanamine (PubChem CID 20648) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 2-chloro-N-ethylethanamine.

Molecular Properties

Compound Name2-chloro-N-ethylethanamine
PubChem CID20648
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name2-chloro-N-ethylethanamine
SMILESCCNCCCl
InChIInChI=1S/C4H10ClN/c1-2-6-4-3-5/h6H,2-4H2,1H3
InChIKeyCKMRQPQTHYMMPY-UHFFFAOYSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
Methyl-ethyl-beta-chloroethylamine hydrochloride
CID 20649
1-Propylamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride
CID 3040665
(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
Ethanamine, 2-chloro-N-ethyl-, hydrochloride
CID 20647
2-Chloroethyl(methyl)azanium;chloride
CID 20651
Diethylamine, 2-chloro-2'-iodo-
CID 50335

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylethanamine?
The IUPAC name of 2-chloro-N-ethylethanamine (CID 20648) is 2-chloro-N-ethylethanamine.
What is the SMILES notation for 2-chloro-N-ethylethanamine?
The canonical SMILES for 2-chloro-N-ethylethanamine is CCNCCCl.
What is the InChIKey of 2-chloro-N-ethylethanamine?
The InChIKey is CKMRQPQTHYMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN/c1-2-6-4-3-5/h6H,2-4H2,1H3.
What are the key properties of 2-chloro-N-ethylethanamine?
2-chloro-N-ethylethanamine has a molecular weight of 107.58 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylethanamine is sourced from PubChem (CID 20648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).