2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine

C13H20ClNO — CID 867184

IUPAC2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(C)cccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-15(5-2)9-10-16-13-11(3)7-6-8-12(13)14/h6-8H,4-5,9-10H2,1-3H3
InChIKeyZBKQNNABMGKDOX-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.37
Rot. Bonds6

About 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine

2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine (PubChem CID 867184) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine
PubChem CID867184
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(C)cccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-15(5-2)9-10-16-13-11(3)7-6-8-12(13)14/h6-8H,4-5,9-10H2,1-3H3
InChIKeyZBKQNNABMGKDOX-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine (CID 867184) is 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine is CCN(CC)CCOc1c(C)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine?
The InChIKey is ZBKQNNABMGKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-15(5-2)9-10-16-13-11(3)7-6-8-12(13)14/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine?
2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine is sourced from PubChem (CID 867184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).