2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine

C16H26ClNO2 — CID 2246186

IUPAC2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO2/c1-5-18(6-2)7-8-19-9-10-20-15-11-13(3)16(17)14(4)12-15/h11-12H,5-10H2,1-4H3
InChIKeyMDNVEDZFPGSWSN-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.69
Rot. Bonds9

About 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine

2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine (PubChem CID 2246186) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
PubChem CID2246186
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO2/c1-5-18(6-2)7-8-19-9-10-20-15-11-13(3)16(17)14(4)12-15/h11-12H,5-10H2,1-4H3
InChIKeyMDNVEDZFPGSWSN-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

2-(4-Chloro-3,5-xylyloxy)-ethanol
CID 79900
4-[2-(3,5-Dimethylphenoxy)ethyl]morpholine
CID 868438
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
4-[2-(4-Chloro-3-methylphenoxy)ethyl]morpholine
CID 869329
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
1-[3-(4-Chloro-3-methylphenoxy)propyl]pyrrolidine
CID 2262864
1-(4-Chloro-3,5-dimethylphenoxy)-3-(1-pyrrolidinyl)-2-propanol hydrochloride
CID 2874868
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692214
1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]pyrrolidine
CID 808142
4-Chloro-3,5-dimethylphenyl morpholine-4-carboxylate
CID 977157
Cambridge id 5735273
CID 2262399
2-[{2-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]ethyl}(methyl)amino]ethanol
CID 2280418

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine (CID 2246186) is 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine is CCN(CC)CCOCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
The InChIKey is MDNVEDZFPGSWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-18(6-2)7-8-19-9-10-20-15-11-13(3)16(17)14(4)12-15/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine?
2-[2-(4-chloro-3,5-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-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine is sourced from PubChem (CID 2246186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).