2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride

C6H15Cl2NO — CID 71756551

IUPAC2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOCCCl.Cl
InChIInChI=1S/C6H14ClNO.ClH/c1-8(2)4-6-9-5-3-7;/h3-6H2,1-2H3;1H
InChIKeyLYAMMBTVGKOGFL-UHFFFAOYSA-N
MW188.10 g/mol
LogP1.23
Rot. Bonds5

About 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride

2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride (PubChem CID 71756551) has the molecular formula C6H15Cl2NO and a molecular weight of 188.10 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
PubChem CID71756551
Molecular FormulaC6H15Cl2NO
Molecular Weight188.10 g/mol
Exact Mass187.05
IUPAC Name2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOCCCl.Cl
InChIInChI=1S/C6H14ClNO.ClH/c1-8(2)4-6-9-5-3-7;/h3-6H2,1-2H3;1H
InChIKeyLYAMMBTVGKOGFL-UHFFFAOYSA-N
XLogP1.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699930
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine
CID 176891909
2-[2-(dimethylamino)ethoxy]ethanolate
CID 23295259
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-1-amine
CID 63666271
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-2-amine
CID 63666470
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
2-[2-(dimethylamino)ethoxy]ethyl hypoiodite
CID 138660148
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride (CID 71756551) is 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride is CN(C)CCOCCCl.Cl.
What is the InChIKey of 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is LYAMMBTVGKOGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO.ClH/c1-8(2)4-6-9-5-3-7;/h3-6H2,1-2H3;1H.
What are the key properties of 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride?
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 188.10 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 71756551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).