1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone

HCID 92565CAS 56917-44-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(CC(=O)c1cccc(O)c1)Cc1ccccc1
InChIKey
DWMWFFWZJCCKCS-UHFFFAOYSA-N
Molecular formula
C16H17NO2
Average molar mass
255.31 g/mol
Monoisotopic mass
255.12592878

Names & identifiers

Preferred name
1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone
IUPAC
2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone
English name
1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethan-1-one
Molecular formula
C16H17NO2
Molecular weight
255.31

Names & synonyms

56917-44-3BenzylphenylephroneOON2Y3767M1-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanoneDTXSID902054611-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanoneRefChem:1054194DTXCID90127952260-431-71-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethan-1-one2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanonePhenylephrine EP Impurity E
Show more names
Benzyl PhenylephronePhenylephrine Imp -EAcetic acid 3-(2-bromo-acetyl)-phenyl esterN-benzyl-N-methyl-2-amino-m-hydroxyacetophenoneA-(N-BENZYL-N-METHYLAMINO)-M-HYDROXYACETOPHENONEα-(N-Benzyl-N-methylamino)-m-hydroxy-acetophenone1-(3-hydroxyphenyl)-2-(2-phenylethylamino)ethanone2-(benzyl-Methyl-aMino)-1-(3-hydroxyphenyl)ethanoneALPHA-(N-BENZYL-N-METHYLAMINO)-M-HYDROXYACETOPHENONE
2-(Benzyl(methyl)amino)-1-(3-hydroxyphenyl)ethanoneEthanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethan-1-one1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethan-1-one2-(BENZYL(METHYL)AMINO)-1-(3-HYDROXYPHENYL)ETHAN-1-ONEEINECS 260-431-7UNII-OON2Y3767METHANONE, 1-(3-HYDROXYPHENYL)-2-(METHYL(PHENYLMETHYL)AMINO)-

Database identifiers

CAS
56917-44-3
PubChem CID
92565
DTXSID
DTXSID90205461
UNII
OON2Y3767M
EC Number
260-431-7
Nikkaji
J267.131J

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Physicochemical properties

Boiling point
420.6 · 420.6±35.0 °C(Predicted)
Density
1.158 · 1.158±0.06 g/cm3(Predicted)
pka
9.06 · 9.06±0.10(Predicted)
FDA UNII
2 Y3767M · OON2Y3767M

Chemistry & industry

Applications

Uses1-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethan-1-one is an intermediate of phenylephrine hydrochloride.

Upstream & downstream products

Suppliers36 total

南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京科朗科技有限公司025-58748998 18951874644 · [email protected]
仙桃市丽昭医药科技有限公司18571672902 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…