Details of the Drug

General Information of Drug (ID: DMQ2XUE)

Drug Name

(2R)-1-(2,6-dimethylphenoxy)propan-2-amine

Synonyms

94991-73-8; (R)-1-(2,6-dimethylphenoxy)propan-2-amine; (2R)-1-(2,6-dimethylphenoxy)propan-2-amine; 2-Propanamine, 1-(2,6-dimethylphenoxy)-, (2R)-; CHEMBL147507; zlchem 1301; (R)-MEXILETINE; (R)-(-)-Mexiletine; AC1L47IL; SCHEMBL16082; BIDD:GT0498; ZINC20257; ZLE0076; DTXSID50241709; BDBM50135883; AKOS017529564; DB07129; AJ-08428; KB-209407; (2R)-1-(2,6-dimethylphenoxy)-2-propanamine; A821017; (R)-2-(2,6-Dimethyl-phenoxy)-1-methyl-ethylamine; UNII-1U511HHV4Z component VLPIATFUUWWMKC-SNVBAGLBSA-N

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

179.26

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H17NO
IUPAC Name: (2R)-1-(2,6-dimethylphenoxy)propan-2-amine
Canonical SMILES: CC1=C(C(=CC=C1)C)OC[C@@H](C)N
InChI: InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1
InChIKey: VLPIATFUUWWMKC-SNVBAGLBSA-N