2-(1H-indol-3-yl)-N-(2-nitrobenzyl)ethanamine
Basic information
- CAS
355816-45-4- Standard SMILES
O=[N+]([O-])c1ccccc1CNCCc1c[nH]c2ccccc12- InChIKey
ZIEAAKFMVJDXHQ-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.13207679
Names & identifiers
- Preferred name
- 2-(1H-indol-3-yl)-N-(2-nitrobenzyl)ethanamine
- IUPAC
- 2-(1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]ethanamine
Names & synonyms
355816-45-42-(1H-indol-3-yl)-N-(2-nitrobenzyl)ethanamine[2-(1H-INDOL-3-YL)ETHYL][(2-NITROPHENYL)METHYL]AMINE2-(1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]ethanamineCBKinase1_000491CBKinase1_012891Cambridge id 5523128CHEMBL1620972SCHEMBL20797914SCHEMBL32667932DTXSID00366032STK145812
Show more names
AKOS000546159ST451570573-[2-({2-nitrobenzyl}amino)ethyl]-1H-indoleMLS-0347408.0002(2-indol-3-ylethyl)[(2-nitrophenyl)methyl]amineAG-690/12619842BRD-K62434675-001-01-32-(1H-Indol-3-yl)-N-[(2-nitrophenyl)methyl]ethan-1-amine
Database identifiers
- CAS
355816-45-4- PubChem CID
- 2054440
- DTXSID
DTXSID00366032- ChEMBL
CHEMBL1620972
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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