1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole

C15H17NS — CID 65042106

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole
SMILESCCc1ccc(CC2NCc3ccccc32)s1
InChIInChI=1S/C15H17NS/c1-2-12-7-8-13(17-12)9-15-14-6-4-3-5-11(14)10-16-15/h3-8,15-16H,2,9-10H2,1H3
InChIKeyWTBRGOHGDQMHQW-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.70
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole

1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 65042106) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole
PubChem CID65042106
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole
SMILESCCc1ccc(CC2NCc3ccccc32)s1
InChIInChI=1S/C15H17NS/c1-2-12-7-8-13(17-12)9-15-14-6-4-3-5-11(14)10-16-15/h3-8,15-16H,2,9-10H2,1H3
InChIKeyWTBRGOHGDQMHQW-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
3-Methyl-1,2,3,4-tetrahydro{1}benzothieno{3,2-c}pyridine
CID 193900
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole (CID 65042106) is 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole is CCc1ccc(CC2NCc3ccccc32)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is WTBRGOHGDQMHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-12-7-8-13(17-12)9-15-14-6-4-3-5-11(14)10-16-15/h3-8,15-16H,2,9-10H2,1H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole?
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 243.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65042106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).