Summary

IMPPAT Phytochemical identifier: IMPHY006034

Phytochemical name: N-Ethylaniline

Synonymous chemical names:
0-ethylaniline

External chemical identifiers:
CID:7670, ChEMBL:CHEMBL455541, ChEBI:34870, ZINC:ZINC000012358766, FDASRS:7E45L4I2PS, SureChEMBL:SCHEMBL7709, MolPort-001-770-224

---

Chemical structure information

SMILES:
CCNc1ccccc1

InChI:
InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChIKey:
OJGMBLNIHDZDGS-UHFFFAOYSA-N

DeepSMILES:
CCNcccccc6

Functional groups:
cNC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP-Likeness score: -0.824

---

Chemical structure download