2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine

C16H26ClNO2 — CID 2245338

IUPAC2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H26ClNO2/c1-5-18(6-2)7-8-19-9-10-20-16-13(3)11-15(17)12-14(16)4/h11-12H,5-10H2,1-4H3
InChIKeyHPLCYNVPSUMOSB-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.69
Rot. Bonds9

About 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine

2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine (PubChem CID 2245338) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
PubChem CID2245338
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H26ClNO2/c1-5-18(6-2)7-8-19-9-10-20-16-13(3)11-15(17)12-14(16)4/h11-12H,5-10H2,1-4H3
InChIKeyHPLCYNVPSUMOSB-UHFFFAOYSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
CID 2249602
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
CID 31196232
diethyl 2-[2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]ethyl]propanedioate
CID 5347945
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
3-bromo-5-chloro-2-[2-(diethylamino)ethoxy]benzaldehyde
CID 22687475
N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
CID 2246319
2-(7-chloro-4-methylquinolin-2-yl)oxy-N,N-diethylethanamine
CID 154130691
2-but-3-ynoxy-5-chloro-1,3-dimethylbenzene
CID 63656035
1-[2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]ethyl]-3-methylimidazolidine
CID 162432618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine (CID 2245338) is 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine is CCN(CC)CCOCCOc1c(C)cc(Cl)cc1C.
What is the InChIKey of 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
The InChIKey is HPLCYNVPSUMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-18(6-2)7-8-19-9-10-20-16-13(3)11-15(17)12-14(16)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine has a molecular weight of 299.84 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine is sourced from PubChem (CID 2245338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).