1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine

C9H20ClNO3 — CID 176891909

IUPAC1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine
SMILESCN(C)COCCOCCOCCCl
InChIInChI=1S/C9H20ClNO3/c1-11(2)9-14-8-7-13-6-5-12-4-3-10/h3-9H2,1-2H3
InChIKeyANUGTRFYWLFOBD-UHFFFAOYSA-N
MW225.72 g/mol
LogP0.79
Rot. Bonds10

About 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine

1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine (PubChem CID 176891909) has the molecular formula C9H20ClNO3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine
PubChem CID176891909
Molecular FormulaC9H20ClNO3
Molecular Weight225.72 g/mol
Exact Mass225.11
IUPAC Name1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine
SMILESCN(C)COCCOCCOCCCl
InChIInChI=1S/C9H20ClNO3/c1-11(2)9-14-8-7-13-6-5-12-4-3-10/h3-9H2,1-2H3
InChIKeyANUGTRFYWLFOBD-UHFFFAOYSA-N
XLogP0.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
CID 71756551
1-(2-methoxyethoxy)-N,N-dimethylmethanamine
CID 87415200
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699930
N,N-dimethyl-1-(2-trimethylsilylethoxy)methanamine
CID 21339561
2-(2-chloroethoxy)ethoxy-trimethylsilane
CID 12686025
2-[2-(2-chloroethoxy)ethoxy]ethoxymethyl-dimethylazanium chloride
CID 176891908
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
CID 21428408
potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate
CID 158666548
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-1-amine
CID 63666271

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine (CID 176891909) is 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine is CN(C)COCCOCCOCCCl.
What is the InChIKey of 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine?
The InChIKey is ANUGTRFYWLFOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO3/c1-11(2)9-14-8-7-13-6-5-12-4-3-10/h3-9H2,1-2H3.
What are the key properties of 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine?
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine has a molecular weight of 225.72 g/mol, XLogP of 0.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine is sourced from PubChem (CID 176891909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).