N-[2-(3,5-Dimethylphenoxy)ethyl]-2-butanamine

HCID 46736331

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Basic information

CAS: 1040692-27-0
Standard SMILES: CCC(C)NCCOc1cc(C)cc(C)c1
InChIKey: GCDLYPKYGXDZJR-UHFFFAOYSA-N
Molecular formula: C14H23NO
Average molar mass: 221.34 g/mol
Monoisotopic mass: 221.17796436

Names & identifiers

Preferred name: N-[2-(3,5-Dimethylphenoxy)ethyl]-2-butanamine
IUPAC: N-[2-(3,5-dimethylphenoxy)ethyl]butan-2-amine

Names & synonyms

N-[2-(3,5-DIMETHYLPHENOXY)ETHYL]-2-BUTANAMINE1040692-27-0N-[2-(3,5-dimethylphenoxy)ethyl]butan-2-amine(butan-2-yl)[2-(3,5-dimethylphenoxy)ethyl]amine7928ACDTXSID401254678AKOS005300892

Database identifiers

CAS: 1040692-27-0
PubChem CID: 46736331
DTXSID: DTXSID401254678

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 174

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