2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine

C16H19NS — CID 62621424

IUPAC2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine
SMILESCCc1ccc(CC2(N)Cc3ccccc3C2)s1
InChIInChI=1S/C16H19NS/c1-2-14-7-8-15(18-14)11-16(17)9-12-5-3-4-6-13(12)10-16/h3-8H,2,9-11,17H2,1H3
InChIKeyUJYLRHCUORTGGM-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.35
Rot. Bonds3

About 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine

2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine (PubChem CID 62621424) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine
PubChem CID62621424
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine
SMILESCCc1ccc(CC2(N)Cc3ccccc3C2)s1
InChIInChI=1S/C16H19NS/c1-2-14-7-8-15(18-14)11-16(17)9-12-5-3-4-6-13(12)10-16/h3-8H,2,9-11,17H2,1H3
InChIKeyUJYLRHCUORTGGM-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine (CID 62621424) is 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine is CCc1ccc(CC2(N)Cc3ccccc3C2)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is UJYLRHCUORTGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-14-7-8-15(18-14)11-16(17)9-12-5-3-4-6-13(12)10-16/h3-8H,2,9-11,17H2,1H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine?
2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 257.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62621424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).