6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline

C17H21NOS — CID 15718691

IUPAC6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(CCCc1cccs1)C2
InChIInChI=1S/C17H21NOS/c1-19-16-7-6-15-13-18(10-8-14(15)12-16)9-2-4-17-5-3-11-20-17/h3,5-7,11-12H,2,4,8-10,13H2,1H3
InChIKeyJBPFAQHXFHPTKO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.75
Rot. Bonds5

About 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline

6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 15718691) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline
PubChem CID15718691
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(CCCc1cccs1)C2
InChIInChI=1S/C17H21NOS/c1-19-16-7-6-15-13-18(10-8-14(15)12-16)9-2-4-17-5-3-11-20-17/h3,5-7,11-12H,2,4,8-10,13H2,1H3
InChIKeyJBPFAQHXFHPTKO-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophen-3-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 16006612
(6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophen-2-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44441077
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-methylthiophen-2-yl)methanone
CID 1954203
1-[4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl]ethan-1-one
CID 2739545
4-Benzo[b]thiophen-5-yl-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 68994312
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
CID 666794
6,7-dimethoxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 2173545
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 3956916
(5,6-Dimethoxy-indan-2-yl)-propyl-thiophen-3-ylmethyl-amine
CID 11045807
{3-(3-Methoxybenzyl)-1-[(5-methyl-2-thienyl)methyl]piperidin-3-yl}methanol
CID 16191004
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-thiophen-2-ylmethyl-amine
CID 44308839
((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
CID 44355355

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline (CID 15718691) is 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(CCCc1cccs1)C2.
What is the InChIKey of 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is JBPFAQHXFHPTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-19-16-7-6-15-13-18(10-8-14(15)12-16)9-2-4-17-5-3-11-20-17/h3,5-7,11-12H,2,4,8-10,13H2,1H3.
What are the key properties of 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 15718691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).