1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine

C19H19NS — CID 115864884

IUPAC1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNC(Cc1ccc2c(c1)CCC2)c1csc2ccccc12
InChIInChI=1S/C19H19NS/c20-18(17-12-21-19-7-2-1-6-16(17)19)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,12,18H,3-5,11,20H2
InChIKeyPKVFSKLVKGGXDA-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.63
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine

1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine (PubChem CID 115864884) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
PubChem CID115864884
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNC(Cc1ccc2c(c1)CCC2)c1csc2ccccc12
InChIInChI=1S/C19H19NS/c20-18(17-12-21-19-7-2-1-6-16(17)19)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,12,18H,3-5,11,20H2
InChIKeyPKVFSKLVKGGXDA-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-2-(4-fluorophenyl)ethanamine
CID 43150893
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 43150867
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115865039
2-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115823598
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 115864870
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115865080
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine (CID 115864884) is 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine is NC(Cc1ccc2c(c1)CCC2)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The InChIKey is PKVFSKLVKGGXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c20-18(17-12-21-19-7-2-1-6-16(17)19)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,12,18H,3-5,11,20H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine has a molecular weight of 293.44 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine is sourced from PubChem (CID 115864884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).