7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline

C16H19NS — CID 175409113

IUPAC7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(CCc1cccs1)CC2
InChIInChI=1S/C16H19NS/c1-13-4-5-14-6-8-17(12-15(14)11-13)9-7-16-3-2-10-18-16/h2-5,10-11H,6-9,12H2,1H3
InChIKeyZNLJYDBFOYGKQW-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.66
Rot. Bonds3

About 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline

7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 175409113) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID175409113
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(CCc1cccs1)CC2
InChIInChI=1S/C16H19NS/c1-13-4-5-14-6-8-17(12-15(14)11-13)9-7-16-3-2-10-18-16/h2-5,10-11H,6-9,12H2,1H3
InChIKeyZNLJYDBFOYGKQW-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
3-methyl-7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731734
2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 63775160
6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 89043863
N-methyl-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 142067783
7-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 138537394
7-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(4-methylphenyl)sulfanyl-2,1,3-benzoxadiazole
CID 145477676
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
CID 63775315
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
methanesulfonic acid;[2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] N,N-dimethylcarbamate
CID 22161722
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 145125206

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline (CID 175409113) is 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1)CN(CCc1cccs1)CC2.
What is the InChIKey of 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZNLJYDBFOYGKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-13-4-5-14-6-8-17(12-15(14)11-13)9-7-16-3-2-10-18-16/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline?
7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 257.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175409113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).