Summary

IMPPAT Phytochemical identifier: IMPHY017221

Phytochemical name: 4-Dimethylamino-3,5-xylenol

Synonymous chemical names:
4-(dimethylamino)-,3,5-dimethyl-phenol

External chemical identifiers:
CID:22499, FDASRS:VY8990GQTI, SureChEMBL:SCHEMBL8565316, MolPort-006-148-440

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Chemical structure information

SMILES:
CN(c1c(C)cc(cc1C)O)C

InChI:
InChI=1S/C10H15NO/c1-7-5-9(12)6-8(2)10(7)11(3)4/h5-6,12H,1-4H3

InChIKey:
GZPBVLUEICLBOA-UHFFFAOYSA-N

DeepSMILES:
CNccC)cccc6C)))O)))))C

Functional groups:
cN(C)C, 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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Cresols

NP-Likeness score: 0.148

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Chemical structure download