1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine

C17H17NS — CID 81154177

IUPAC1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1cccc2ccsc12
InChIInChI=1S/C17H17NS/c1-2-17(18,14-8-4-3-5-9-14)15-10-6-7-13-11-12-19-16(13)15/h3-12H,2,18H2,1H3
InChIKeyWUEUQAJJXKRXIM-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.51
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine

1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine (PubChem CID 81154177) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine
PubChem CID81154177
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1cccc2ccsc12
InChIInChI=1S/C17H17NS/c1-2-17(18,14-8-4-3-5-9-14)15-10-6-7-13-11-12-19-16(13)15/h3-12H,2,18H2,1H3
InChIKeyWUEUQAJJXKRXIM-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine (CID 81154177) is 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine is CCC(N)(c1ccccc1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine?
The InChIKey is WUEUQAJJXKRXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-2-17(18,14-8-4-3-5-9-14)15-10-6-7-13-11-12-19-16(13)15/h3-12H,2,18H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine?
1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine has a molecular weight of 267.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 81154177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).