2-chloro-N,N-diethylethanamine;hypochlorous acid

C6H15Cl2NO — CID 19898497

IUPAC2-chloro-N,N-diethylethanamine;hypochlorous acid
SMILESCCN(CC)CCCl.OCl
InChIInChI=1S/C6H14ClN.ClHO/c1-3-8(4-2)6-5-7;1-2/h3-6H2,1-2H3;2H
InChIKeyQOUPJXLLBHPYEV-UHFFFAOYSA-N
MW188.10 g/mol
LogP1.70
Rot. Bonds4

About 2-chloro-N,N-diethylethanamine;hypochlorous acid

2-chloro-N,N-diethylethanamine;hypochlorous acid (PubChem CID 19898497) has the molecular formula C6H15Cl2NO and a molecular weight of 188.10 g/mol. Its IUPAC name is 2-chloro-N,N-diethylethanamine;hypochlorous acid.

Molecular Properties

Compound Name2-chloro-N,N-diethylethanamine;hypochlorous acid
PubChem CID19898497
Molecular FormulaC6H15Cl2NO
Molecular Weight188.10 g/mol
Exact Mass187.05
IUPAC Name2-chloro-N,N-diethylethanamine;hypochlorous acid
SMILESCCN(CC)CCCl.OCl
InChIInChI=1S/C6H14ClN.ClHO/c1-3-8(4-2)6-5-7;1-2/h3-6H2,1-2H3;2H
InChIKeyQOUPJXLLBHPYEV-UHFFFAOYSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
2-chloro-N,N-diethylethanamine;methylsulfinylmethane
CID 159764523
2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
CID 61289336
N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159
N-(2-chloroethyl)-N-ethylprop-2-yn-1-amine
CID 55302834
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine
CID 107897666
5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075
4-aminobenzoic acid;2-chloro-N,N-diethylethanamine
CID 174922963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethylethanamine;hypochlorous acid?
The IUPAC name of 2-chloro-N,N-diethylethanamine;hypochlorous acid (CID 19898497) is 2-chloro-N,N-diethylethanamine;hypochlorous acid.
What is the SMILES notation for 2-chloro-N,N-diethylethanamine;hypochlorous acid?
The canonical SMILES for 2-chloro-N,N-diethylethanamine;hypochlorous acid is CCN(CC)CCCl.OCl.
What is the InChIKey of 2-chloro-N,N-diethylethanamine;hypochlorous acid?
The InChIKey is QOUPJXLLBHPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN.ClHO/c1-3-8(4-2)6-5-7;1-2/h3-6H2,1-2H3;2H.
What are the key properties of 2-chloro-N,N-diethylethanamine;hypochlorous acid?
2-chloro-N,N-diethylethanamine;hypochlorous acid has a molecular weight of 188.10 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylethanamine;hypochlorous acid is sourced from PubChem (CID 19898497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).