Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate

HCID 199474

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Basic information

CAS: 4236-45-7
Standard SMILES: CN(CCCC(O)(c1ccccc1)c1ccc(F)cc1)CCc1ccccc1.O=C(O)C(=O)O
InChIKey: SXHUOQPWUIMESD-UHFFFAOYSA-N
Molecular formula: C27H30FNO5
Average molar mass: 467.5 g/mol
Monoisotopic mass: 467.21080122

Names & identifiers

Preferred name: Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate
IUPAC: 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-1-ol;oxalic acid

Names & synonyms

4-Fluoro-alpha-(3-(methylphenethylamino)propyl)benzhydrol oxalate4236-45-71-Butanol, 1-p-fluorophenyl-3-methylphenethylamino-1-phenyl-, oxalateBenzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalateRefChem:325682DTXSID40962436Oxalic acid--1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-1-ol (1/1)

Database identifiers

CAS: 4236-45-7
PubChem CID: 199474
DTXSID: DTXSID40962436

Properties

Computed structural properties

Topological polar surface area: 98.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 496

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