Summary

IMPPAT Phytochemical identifier: IMPHY005366

Phytochemical name: (1R)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride

Synonymous chemical names:
ephedrine hydrochloride

External chemical identifiers:
CID:16667682

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Chemical structure information

SMILES:
CNC([C@@H](c1ccccc1)O)C.Cl

InChI:
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8?,10-;/m0./s1

InChIKey:
BALXUFOVQVENIU-LQRGNCEWSA-N

DeepSMILES:
CNC[C@@H]cccccc6))))))O))C.Cl

Functional groups:
CNC, CO, Cl

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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: Phenylpropanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: 0.396

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Chemical structure download