CAS 912569-78-9|methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride|N-methyl-N-[(5-methylthien-2-yl)methyl]amine monohydrochloride|methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride|N-Me...

General Information

Structure

Molecular Formula

C₇H₁₂ClNS

Molecular Mass

177.69488

Exact Mass

177.03789807

Charge

InChI

InChI=1S/C7H11NS.ClH/c1-6-3-4-7(9-6)5-8-2;/h3-4,8H,5H2,1-2H3;1H

InChIKey

OQOUPFNJXCXICY-UHFFFAOYSA-N

Canonic Smiles

CNCc1ccc(s1)C.Cl

Isomeric Smiles

s1c(ccc1C)CNC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.0521297

LogD (pH = 7.4)

0.1752751

Log P

2.0903368

Molar Refractivity

41.2522

Polarizability

15.944911

Polar Surface Area

12.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride

Synonyms

N-methyl-N-[(5-methylthien-2-yl)methyl]amine monohydrochlorideN-Methyl-1-(5-methyl-2-thienyl)methanamine hydrochloride2-Methyl-5-[(methylamino)methyl]thiophene hydrochloride 97%N-Methyl-N-[(5-methylthien-2-yl)methyl]amine hydrochloridemethyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride

IUPAC name

methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID