2-[4-(2-Fluorophenoxy)butylamino]ethanol

HCID 2250232

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Basic information

CAS: 418784-77-7
Standard SMILES: OCCNCCCCOc1ccccc1F
InChIKey: XXPRBQYNRBGRTJ-UHFFFAOYSA-N
Molecular formula: C12H18FNO2
Average molar mass: 227.27 g/mol
Monoisotopic mass: 227.13215698

Names & identifiers

Preferred name: 2-[4-(2-Fluorophenoxy)butylamino]ethanol
IUPAC: 2-[4-(2-fluorophenoxy)butylamino]ethanol

Names & synonyms

2-[[4-(2-Fluorophenoxy)butyl]amino]ethanol418784-77-72-{[4-(2-FLUOROPHENOXY)BUTYL]AMINO}ETHANOLMLS0001067192-[4-(2-fluorophenoxy)butylamino]ethanolCHEMBL1569977DTXSID801266722HMS2446E08SMR0001110952-{[4-(2-Fluorophenoxy)butyl]amino}ethan-1-olSR-01000213295SR-01000213295-1

Database identifiers

CAS: 418784-77-7
PubChem CID: 2250232
DTXSID: DTXSID801266722
ChEMBL: CHEMBL1569977

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 169

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