N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine

C19H19NS — CID 114909599

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCC(Nc1ccc2c(c1)CCC2)c1cc2ccccc2s1
InChIInChI=1S/C19H19NS/c1-13(19-12-16-5-2-3-8-18(16)21-19)20-17-10-9-14-6-4-7-15(14)11-17/h2-3,5,8-13,20H,4,6-7H2,1H3
InChIKeyCHZCLVLYKSWDLY-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.56
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine

N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 114909599) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID114909599
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCC(Nc1ccc2c(c1)CCC2)c1cc2ccccc2s1
InChIInChI=1S/C19H19NS/c1-13(19-12-16-5-2-3-8-18(16)21-19)20-17-10-9-14-6-4-7-15(14)11-17/h2-3,5,8-13,20H,4,6-7H2,1H3
InChIKeyCHZCLVLYKSWDLY-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-3-iodo-4-methylaniline
CID 114909749
N-[1-(1-benzothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 114909572
N-[1-(1-benzothiophen-2-yl)ethyl]-4-bromo-3-methoxyaniline
CID 114910028
4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol
CID 107678990
4-[1-(1-benzothiophen-2-yl)ethylamino]-2-chlorobenzonitrile
CID 114909699
1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803448
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43096931

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine (CID 114909599) is N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine is CC(Nc1ccc2c(c1)CCC2)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is CHZCLVLYKSWDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-13(19-12-16-5-2-3-8-18(16)21-19)20-17-10-9-14-6-4-7-15(14)11-17/h2-3,5,8-13,20H,4,6-7H2,1H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 293.44 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 114909599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).