Summary

IMPPAT Phytochemical identifier: IMPHY005417

Phytochemical name: 4-(2-(Dimethylamino)ethyl)-2-methoxyphenol

Synonymous chemical names:
magnosprengerine

External chemical identifiers:
CID:161861, FDASRS:QQ6H4OY7CC

---

Chemical structure information

SMILES:
COc1cc(CCN(C)C)ccc1O

InChI:
InChI=1S/C11H17NO2/c1-12(2)7-6-9-4-5-10(13)11(8-9)14-3/h4-5,8,13H,6-7H2,1-3H3

InChIKey:
SQKKYSLRUHVTFX-UHFFFAOYSA-N

DeepSMILES:
COcccCCNC)C))))ccc6O

Functional groups:
CN(C)C, cO, cOC

---

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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Phenylethylamines

NP-Likeness score: 0.333

---

Chemical structure download