1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine

C18H17NS — CID 81128591

IUPAC1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine
SMILESNC(c1cccc2ccsc12)C1(c2ccccc2)CC1
InChIInChI=1S/C18H17NS/c19-17(15-8-4-5-13-9-12-20-16(13)15)18(10-11-18)14-6-2-1-3-7-14/h1-9,12,17H,10-11,19H2
InChIKeyINPUMGGZPQUUQA-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.63
Rot. Bonds3

About 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine

1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine (PubChem CID 81128591) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine
PubChem CID81128591
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine
SMILESNC(c1cccc2ccsc12)C1(c2ccccc2)CC1
InChIInChI=1S/C18H17NS/c19-17(15-8-4-5-13-9-12-20-16(13)15)18(10-11-18)14-6-2-1-3-7-14/h1-9,12,17H,10-11,19H2
InChIKeyINPUMGGZPQUUQA-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine (CID 81128591) is 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine is NC(c1cccc2ccsc12)C1(c2ccccc2)CC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine?
The InChIKey is INPUMGGZPQUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c19-17(15-8-4-5-13-9-12-20-16(13)15)18(10-11-18)14-6-2-1-3-7-14/h1-9,12,17H,10-11,19H2.
What are the key properties of 1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine?
1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine has a molecular weight of 279.41 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-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 81128591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).