7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine

C14H15NS — CID 177304925

IUPAC7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine
SMILESNC1(c2ccccc2)CCCc2ccsc21
InChIInChI=1S/C14H15NS/c15-14(12-6-2-1-3-7-12)9-4-5-11-8-10-16-13(11)14/h1-3,6-8,10H,4-5,9,15H2
InChIKeyQAMJQSUCUFWKKJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.29
Rot. Bonds1

About 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine

7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine (PubChem CID 177304925) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine.

Molecular Properties

Compound Name7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine
PubChem CID177304925
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine
SMILESNC1(c2ccccc2)CCCc2ccsc21
InChIInChI=1S/C14H15NS/c15-14(12-6-2-1-3-7-12)9-4-5-11-8-10-16-13(11)14/h1-3,6-8,10H,4-5,9,15H2
InChIKeyQAMJQSUCUFWKKJ-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine?
The IUPAC name of 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine (CID 177304925) is 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine.
What is the SMILES notation for 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine?
The canonical SMILES for 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine is NC1(c2ccccc2)CCCc2ccsc21.
What is the InChIKey of 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine?
The InChIKey is QAMJQSUCUFWKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c15-14(12-6-2-1-3-7-12)9-4-5-11-8-10-16-13(11)14/h1-3,6-8,10H,4-5,9,15H2.
What are the key properties of 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine?
7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine has a molecular weight of 229.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine is sourced from PubChem (CID 177304925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).