Basic information
- Standard SMILES
CNCCc1ccc([N+](=O)[O-])cc1- InChIKey
PTPPVTUXJDJAGY-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
Names & identifiers
- Preferred name
- N-methyl-4-nitrophenethylamine
- IUPAC
- N-methyl-2-(4-nitrophenyl)ethanamine
Names & synonyms
85176-37-0N-methyl-4-nitrophenethylamineN-METHYL-[2-(4-NITRO-PHENYL)-ETHYL]-AMINEN-methyl-2-(4-nitrophenyl)ethanaminemethyl[2-(4-nitrophenyl)ethyl]amineMFCD06654542N-methyl-N-[2-(4-nitro-phenyl)-ethyl]-amineSCHEMBL991622SCHEMBL6245565SCHEMBL14342284PTPPVTUXJDJAGY-UHFFFAOYSA-N4-(2-methylamino-ethyl)-nitrobenzene
Show more names
AKOS009157215N-methyl 2-(4-nitrophenyl)ethylamineAB25403SB39031DB-115131N-methyl-N-(2-(4-nitrophenyl)ethyl)amineN-[2-(4-nitrophenyl)-ethyl]-N-methylamineNS00001287
Database identifiers
- PubChem CID
- 2794239
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Related reactions
31 records
Linked notes
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