2-chloro-N,N-diethylethanamine;hydrochloride

C6H15Cl2N — CID 13363

IUPAC2-chloro-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCCl.Cl
InChIInChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
InChIKeyRAGSWDIQBBZLLL-UHFFFAOYSA-N
MW172.10 g/mol
LogP1.99
Rot. Bonds4

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

2-chloro-N,N-diethylethanamine;hydrochloride (PubChem CID 13363) has the molecular formula C6H15Cl2N and a molecular weight of 172.10 g/mol. Its IUPAC name is 2-chloro-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-diethylethanamine;hydrochloride
PubChem CID13363
Molecular FormulaC6H15Cl2N
Molecular Weight172.10 g/mol
Exact Mass171.06
IUPAC Name2-chloro-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCCl.Cl
InChIInChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
InChIKeyRAGSWDIQBBZLLL-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 51.99
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
Mechlorethamine Oxide Hydrochloride
CID 9334
Chlorocholine
CID 13837
Mechlorethamine Oxide
CID 9335
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,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-chloro-N,N-diethylethanamine;hydrochloride (CID 13363) is 2-chloro-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-chloro-N,N-diethylethanamine;hydrochloride is CCN(CC)CCCl.Cl.
What is the InChIKey of 2-chloro-N,N-diethylethanamine;hydrochloride?
The InChIKey is RAGSWDIQBBZLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H.
What are the key properties of 2-chloro-N,N-diethylethanamine;hydrochloride?
2-chloro-N,N-diethylethanamine;hydrochloride has a molecular weight of 172.10 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 13363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).