Summary

IMPPAT Phytochemical identifier: IMPHY002886

Phytochemical name: 3-Hydroxy-N-methyl-3-phenyl-propylamine

Synonymous chemical names:
2-(methyl-amino)-benzyl-alcohol

External chemical identifiers:
CID:2733989, FDASRS:I28ND993BO, SureChEMBL:SCHEMBL526622, MolPort-001-757-270

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Chemical structure information

SMILES:
CNCCC(c1ccccc1)O

InChI:
InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3

InChIKey:
XXSDCGNHLFVSET-UHFFFAOYSA-N

DeepSMILES:
CNCCCcccccc6))))))O

Functional groups:
CNC, CO

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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: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids, Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids, Phenylethylamines

NP-Likeness score: 0.336

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Chemical structure download