Summary

IMPPAT Phytochemical identifier: IMPHY013800

Phytochemical name: 4-Methoxyamphetamine

Synonymous chemical names:
p-methoxyamphetamine

External chemical identifiers:
CID:31721, ChEMBL:CHEMBL278663, FDASRS:OVB8F8P39Q, SureChEMBL:SCHEMBL264634

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Chemical structure information

SMILES:
COc1ccc(cc1)CC(N)C

InChI:
InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3

InChIKey:
NEGYEDYHPHMHGK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CCN)C

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: Phenethylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -0.021

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Chemical structure download