4-Benzyloxy-3-nitrophenethylamine

HCID 19082296
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Basic information

Standard SMILES
NCCc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1
InChIKey
GXKARSPICGVIAO-UHFFFAOYSA-N
Molecular formula
C15H16N2O3
Average molar mass
272.3 g/mol
Monoisotopic mass
272.11609238

Names & identifiers

Preferred name
4-Benzyloxy-3-nitrophenethylamine
IUPAC
2-(3-nitro-4-phenylmethoxyphenyl)ethanamine

Names & synonyms

SCHEMBL35990694-benzyloxy-3-nitrophenethylamineGXKARSPICGVIAO-UHFFFAOYSA-N2-(4-(benzyloxy)-3-nitrophenyl)ethanamine

Database identifiers

PubChem CID
19082296

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
81.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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