Summary

IMPPAT Phytochemical identifier: IMPHY017108

Phytochemical name: 1-Ethoxyethylbenzene;methanamine

Synonymous chemical names:
1-ethoxyethylbenzene

External chemical identifiers:
CID:143850019

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Chemical structure information

SMILES:
CCOC(c1ccccc1)C.CN

InChI:
InChI=1S/C10H14O.CH5N/c1-3-11-9(2)10-7-5-4-6-8-10;1-2/h4-9H,3H2,1-2H3;2H2,1H3

InChIKey:
OELGICFARVXFSJ-UHFFFAOYSA-N

DeepSMILES:
CCOCcccccc6))))))C.CN

Functional groups:
CN, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzylethers

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -0.448

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Chemical structure download