2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline

C15H17NS — CID 10752768

IUPAC2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(C2CN(C)Cc3ccccc32)s1
InChIInChI=1S/C15H17NS/c1-11-7-8-15(17-11)14-10-16(2)9-12-5-3-4-6-13(12)14/h3-8,14H,9-10H2,1-2H3
InChIKeyYTYBDRIOUDWUGR-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.63
Rot. Bonds1

About 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline

2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 10752768) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID10752768
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(C2CN(C)Cc3ccccc32)s1
InChIInChI=1S/C15H17NS/c1-11-7-8-15(17-11)14-10-16(2)9-12-5-3-4-6-13(12)14/h3-8,14H,9-10H2,1-2H3
InChIKeyYTYBDRIOUDWUGR-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline (CID 10752768) is 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline is Cc1ccc(C2CN(C)Cc3ccccc32)s1.
What is the InChIKey of 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is YTYBDRIOUDWUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-7-8-15(17-11)14-10-16(2)9-12-5-3-4-6-13(12)14/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 243.38 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10752768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).