Details of the Drug

General Information of Drug (ID: DMUJ18P)

Drug Name

N-methyl-1-(2-thiophen-2-ylphenyl)methanamine

Synonyms

N-Methyl-N-(2-thien-2-ylbenzyl)amine; 852180-66-6; N-methyl-1-(2-thiophen-2-ylphenyl)methanamine; CHEMBL549343; N-Methyl-2-thien-2-ylbenzylamine; N-methyl-1-(2-(thiophen-2-yl)phenyl)methanamine; AC1OEOYY; CTK5F4550; DTXSID00427632; MolPort-000-143-044; HMS3604E04; ZINC3880928; SBB093177; BDBM50294171; AKOS010337666; RP04434; DB07196; n-methyl-n-(2-thiophen-2-ylbenzyl)amine; methyl[(2-(2-thienyl)phenyl)methyl]amine; KB-204244; KB-302285; RT-014485; Benzenemethanamine,N-methyl-2-(2-thienyl)-; Y4269; Benzenemethanamine, N-methyl-2-(2

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

203.31

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H13NS
IUPAC Name: N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
Canonical SMILES: CNCC1=CC=CC=C1C2=CC=CS2
InChI: InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
InChIKey: MRKJJEJYTBOUTH-UHFFFAOYSA-N