N-{2-(4-{(E)-2-Carbomethoxyethenyl}phenyl)-1-methylethyl}-2-hydroxy-2-(3-fluorophenyl) ethanamine

HCID 70529992
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Basic information

Standard SMILES
COC(=O)/C=C/c1ccc(CC(C)NCC(O)c2cccc(F)c2)cc1
InChIKey
BMVFGVOZANINBY-ZHACJKMWSA-N
Molecular formula
C21H24FNO3
Average molar mass
357.4 g/mol
Monoisotopic mass
357.17402179

Names & identifiers

Preferred name
N-{2-(4-{(E)-2-Carbomethoxyethenyl}phenyl)-1-methylethyl}-2-hydroxy-2-(3-fluorophenyl) ethanamine
IUPAC
methyl (E)-3-[4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]prop-2-enoate

Names & synonyms

SCHEMBL11170233BMVFGVOZANINBY-ZHACJKMWSA-NN-{2-(4-{(E)-2-Carbomethoxyethenyl}phenyl)-1-methylethyl}-2-hydroxy-2-(3-fluorophenyl) ethanamine

Database identifiers

PubChem CID
70529992

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
26

Related reactions

1 records
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Compound notes

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