2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine

C16H27NO — CID 113319292

IUPAC2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C16H27NO/c1-4-15-8-7-14(13-16(15)5-2)9-11-18-12-10-17-6-3/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyMTCVESFPYKKXNI-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.98
Rot. Bonds9

About 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine

2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine (PubChem CID 113319292) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
PubChem CID113319292
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C16H27NO/c1-4-15-8-7-14(13-16(15)5-2)9-11-18-12-10-17-6-3/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyMTCVESFPYKKXNI-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390
2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
CID 65302851
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
CID 79736426
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
CID 139601632
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
CID 65303014
1,2-diethyl-4-propylbenzene
CID 54363919
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 115483366
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
4-(3,4-diethylphenyl)-N-propylbutan-1-amine
CID 115483369

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine?
The IUPAC name of 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine (CID 113319292) is 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine?
The canonical SMILES for 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine is CCNCCOCCc1ccc(CC)c(CC)c1.
What is the InChIKey of 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine?
The InChIKey is MTCVESFPYKKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-15-8-7-14(13-16(15)5-2)9-11-18-12-10-17-6-3/h7-8,13,17H,4-6,9-12H2,1-3H3.
What are the key properties of 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine?
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine is sourced from PubChem (CID 113319292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).