alpha-[3-(Dimethylamino)propyl]-2-(2-fluorophenoxy)benzenemethanol

HCID 12920935

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Basic information

CAS: 81890-63-3
Standard SMILES: CN(C)CCCC(O)c1ccccc1Oc1ccccc1F
InChIKey: WKILUFZYUNLGDC-UHFFFAOYSA-N
Molecular formula: C18H22FNO2
Average molar mass: 303.4 g/mol
Monoisotopic mass: 303.16345711

Names & identifiers

Preferred name: alpha-[3-(Dimethylamino)propyl]-2-(2-fluorophenoxy)benzenemethanol
IUPAC: 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol

Names & synonyms

81890-63-3alpha-[3-(Dimethylamino)propyl]-2-(2-fluorophenoxy)benzenemethanolalpha-(3-(Dimethylamino)propyl)-2-(2-fluorophenoxy)benzenemethanolRefChem:318224DTXSID2011796324-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-olI+/--[3-(Dimethylamino)propyl]-2-(2-fluorophenoxy)benzenemethanol

Database identifiers

CAS: 81890-63-3
PubChem CID: 12920935
DTXSID: DTXSID201179632

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 313

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