[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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Related Compounds

1-(2-Thien-2-ylphenyl)methanamine hydrochloride
CID 18525724
2-(2-Thienyl)benzenemethanamine
CID 7164593
(2-(Thiophen-3-yl)phenyl)methanamine
CID 59841097
1-(2,3-dihydro-1H-inden-5-yl)-1-(thiophen-2-yl)methanamine hydrochloride
CID 165664371
(E)-2-phenyl-N-((1-(thiophen-3-yl)cyclopentyl)methyl)ethenesulfonamide
CID 86263782
3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine
CID 57220065
4-[3-(4-Fluorophenyl)thiophen-2-yl]butan-1-amine
CID 57259209
2-Methyl-5-(1-methylindanyl)-thiophen
CID 129648906
(2,3-dihydro-1H-inden-5-yl)(thiophen-2-yl)methanamine
CID 16227042
2-(4-Fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 24268686
2-(3-Fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 24268711
2-(2-Fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 24268736

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).