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

C17H29NO2 — CID 115483390

IUPACN-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCCc1ccc(CCOCCNCCOC)cc1CC
InChIInChI=1S/C17H29NO2/c1-4-16-7-6-15(14-17(16)5-2)8-11-20-13-10-18-9-12-19-3/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyPQURYDCQAJBFDL-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.61
Rot. Bonds11

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

N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine (PubChem CID 115483390) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
PubChem CID115483390
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCCc1ccc(CCOCCNCCOC)cc1CC
InChIInChI=1S/C17H29NO2/c1-4-16-7-6-15(14-17(16)5-2)8-11-20-13-10-18-9-12-19-3/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyPQURYDCQAJBFDL-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine (CID 115483390) is N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine is CCc1ccc(CCOCCNCCOC)cc1CC.
What is the InChIKey of N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine?
The InChIKey is PQURYDCQAJBFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-16-7-6-15(14-17(16)5-2)8-11-20-13-10-18-9-12-19-3/h6-7,14,18H,4-5,8-13H2,1-3H3.
What are the key properties of N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine?
N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine has a molecular weight of 279.42 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 115483390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).