Phenethyl alcohol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalate

HCID 199743

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Basic information

CAS: 4838-43-1
Standard SMILES: CC(CN(C)CCc1ccccc1)C(O)(Cc1ccccc1)c1ccccc1.O=C(O)C(=O)O
InChIKey: NUZOSTFTNYATKN-UHFFFAOYSA-N
Molecular formula: C28H33NO5
Average molar mass: 463.6 g/mol
Monoisotopic mass: 463.23587315

Names & identifiers

Preferred name: Phenethyl alcohol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalate
IUPAC: 3-methyl-4-[methyl(2-phenylethyl)amino]-1,2-diphenylbutan-2-ol;oxalic acid

Names & synonyms

1,2-Diphenyl-3-methyl-4-(methylphenethylamino)-2-butanol oxalate4838-43-12-Butanol, 1,2-diphenyl-3-methyl-4-(methylphenethylamino)-, oxalatealpha-(1-Methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-phenethyl alcohol oxalatePhenethyl alcohol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalateRefChem:368640DTXSID60964058Oxalic acid--3-methyl-4-[methyl(2-phenylethyl)amino]-1,2-diphenylbutan-2-ol (1/1)

Database identifiers

CAS: 4838-43-1
PubChem CID: 199743
DTXSID: DTXSID60964058

Properties

Computed structural properties

Topological polar surface area: 98.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 492

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