[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine

C15H12FNS — CID 81153828

IUPAC[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(-c2cccc3ccsc23)cc1F
InChIInChI=1S/C15H12FNS/c16-14-8-11(4-5-12(14)9-17)13-3-1-2-10-6-7-18-15(10)13/h1-8H,9,17H2
InChIKeyQKNRMDXZZANZTL-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.17
Rot. Bonds2

About [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine

[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine (PubChem CID 81153828) has the molecular formula C15H12FNS and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine
PubChem CID81153828
Molecular FormulaC15H12FNS
Molecular Weight257.33 g/mol
Exact Mass257.07
IUPAC Name[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(-c2cccc3ccsc23)cc1F
InChIInChI=1S/C15H12FNS/c16-14-8-11(4-5-12(14)9-17)13-3-1-2-10-6-7-18-15(10)13/h1-8H,9,17H2
InChIKeyQKNRMDXZZANZTL-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine (CID 81153828) is [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine is NCc1ccc(-c2cccc3ccsc23)cc1F.
What is the InChIKey of [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine?
The InChIKey is QKNRMDXZZANZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNS/c16-14-8-11(4-5-12(14)9-17)13-3-1-2-10-6-7-18-15(10)13/h1-8H,9,17H2.
What are the key properties of [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine?
[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 81153828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).