2-(2-chloroethoxy)-N,N-diethylethanamine

C8H18ClNO — CID 15105203

IUPAC2-(2-chloroethoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOCCCl
InChIInChI=1S/C8H18ClNO/c1-3-10(4-2)6-8-11-7-5-9/h3-8H2,1-2H3
InChIKeyYIYADLTXOIIHTN-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.58
Rot. Bonds7

About 2-(2-chloroethoxy)-N,N-diethylethanamine

2-(2-chloroethoxy)-N,N-diethylethanamine (PubChem CID 15105203) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N,N-diethylethanamine
PubChem CID15105203
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-(2-chloroethoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOCCCl
InChIInChI=1S/C8H18ClNO/c1-3-10(4-2)6-8-11-7-5-9/h3-8H2,1-2H3
InChIKeyYIYADLTXOIIHTN-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N,N-diethylethanamine (CID 15105203) is 2-(2-chloroethoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N,N-diethylethanamine is CCN(CC)CCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)-N,N-diethylethanamine?
The InChIKey is YIYADLTXOIIHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-3-10(4-2)6-8-11-7-5-9/h3-8H2,1-2H3.
What are the key properties of 2-(2-chloroethoxy)-N,N-diethylethanamine?
2-(2-chloroethoxy)-N,N-diethylethanamine has a molecular weight of 179.69 g/mol, XLogP of 1.58, 7 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-diethylethanamine is sourced from PubChem (CID 15105203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).