[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine

C16H19NS — CID 65407126

IUPAC[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(CCc2ccsc2)Cc2ccccc2C1
InChIInChI=1S/C16H19NS/c17-12-16(7-5-13-6-8-18-11-13)9-14-3-1-2-4-15(14)10-16/h1-4,6,8,11H,5,7,9-10,12,17H2
InChIKeyHQLISHGSQQZWFH-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.42
Rot. Bonds4

About [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine

[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine (PubChem CID 65407126) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine
PubChem CID65407126
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(CCc2ccsc2)Cc2ccccc2C1
InChIInChI=1S/C16H19NS/c17-12-16(7-5-13-6-8-18-11-13)9-14-3-1-2-4-15(14)10-16/h1-4,6,8,11H,5,7,9-10,12,17H2
InChIKeyHQLISHGSQQZWFH-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine?
The IUPAC name of [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine (CID 65407126) is [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine.
What is the SMILES notation for [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine?
The canonical SMILES for [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine is NCC1(CCc2ccsc2)Cc2ccccc2C1.
What is the InChIKey of [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine?
The InChIKey is HQLISHGSQQZWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c17-12-16(7-5-13-6-8-18-11-13)9-14-3-1-2-4-15(14)10-16/h1-4,6,8,11H,5,7,9-10,12,17H2.
What are the key properties of [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine?
[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine has a molecular weight of 257.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine is sourced from PubChem (CID 65407126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).