1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine

C14H15NS — CID 79992474

IUPAC1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine
SMILESCc1ccsc1C1(N)CCc2ccccc21
InChIInChI=1S/C14H15NS/c1-10-7-9-16-13(10)14(15)8-6-11-4-2-3-5-12(11)14/h2-5,7,9H,6,8,15H2,1H3
InChIKeyGWMXSYINJZLZDV-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.21
Rot. Bonds1

About 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine

1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine (PubChem CID 79992474) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine
PubChem CID79992474
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine
SMILESCc1ccsc1C1(N)CCc2ccccc21
InChIInChI=1S/C14H15NS/c1-10-7-9-16-13(10)14(15)8-6-11-4-2-3-5-12(11)14/h2-5,7,9H,6,8,15H2,1H3
InChIKeyGWMXSYINJZLZDV-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine (CID 79992474) is 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine is Cc1ccsc1C1(N)CCc2ccccc21.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine?
The InChIKey is GWMXSYINJZLZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-10-7-9-16-13(10)14(15)8-6-11-4-2-3-5-12(11)14/h2-5,7,9H,6,8,15H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine?
1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79992474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).