1-Butanol, 2-((3-(p-(phenoxymethyl)phenyl)propyl)amino)-

HCID 57906

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Basic information

CAS: 100482-46-0
Standard SMILES: CCC(CO)NCCCc1ccc(COc2ccccc2)cc1
InChIKey: JSEBUQPWKWPIBC-UHFFFAOYSA-N
Molecular formula: C20H27NO2
Average molar mass: 313.4 g/mol
Monoisotopic mass: 313.2041791

Names & identifiers

Preferred name: 1-Butanol, 2-((3-(p-(phenoxymethyl)phenyl)propyl)amino)-
IUPAC: 2-[3-[4-(phenoxymethyl)phenyl]propylamino]butan-1-ol

Names & synonyms

BRN 34063072-((3-(p-(Phenoxymethyl)phenyl)propyl)amino)-1-butanol100482-46-01-BUTANOL, 2-((3-(p-(PHENOXYMETHYL)PHENYL)PROPYL)AMINO)-4-13-00-01967 (Beilstein Handbook Reference)3-(1-Hydroxy-butyl-(2)-amino)-1-(4-(phenoxymethyl)-phenyl)-propan [German]3-(1-Hydroxy-butyl-(2)-amino)-1-(4-(phenoxymethyl)-phenyl)-propanRefChem:2287982-({3-[4-(phenoxymethyl)phenyl]propyl}amino)butan-1-olDTXSID30905534

Database identifiers

CAS: 100482-46-0
PubChem CID: 57906
DTXSID: DTXSID30905534
Nikkaji: J64.683K

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 23
Formal charge: 0
Complexity: 283

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