N,N-Diethyl-2-(4-phenylbutoxy)ethan-1-amine

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Basic information

CAS: 26281-52-7
Standard SMILES: CCN(CC)CCOCCCCc1ccccc1
InChIKey: BEKBJUZTMZURQX-UHFFFAOYSA-N
Molecular formula: C16H27NO
Average molar mass: 249.39 g/mol
Monoisotopic mass: 249.20926449

Names & identifiers

Preferred name: N,N-Diethyl-2-(4-phenylbutoxy)ethan-1-amine
IUPAC: N,N-diethyl-2-(4-phenylbutoxy)ethanamine
English name: [2-(4-Phenylbutoxy)ethyl]diethylamine
Molecular formula: C16H27NO
Molecular weight: 249.39

Names & synonyms

26281-52-7DTXSID60949143N,N-Diethyl-2-(4-phenylbutoxy)ethan-1-amineRefChem:1090438DTXCID3013773442-(4-Phenylbutoxy)triethylamineBRN 2452381Triethylamine, 2-(4-phenylbutoxy)-[2-(4-Phenylbutoxy)ethyl]diethylamineEthanamine, N,N-diethyl-2-(4-phenylbutoxy)-

Database identifiers

CAS: 26281-52-7
PubChem CID: 213372
DTXSID: DTXSID60949143
Nikkaji: J58.255G

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 18
Formal charge: 0
Complexity: 174

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