[3-(1-benzothiophen-7-yl)phenyl]methanamine

C15H13NS — CID 81154276

IUPAC[3-(1-benzothiophen-7-yl)phenyl]methanamine
SMILESNCc1cccc(-c2cccc3ccsc23)c1
InChIInChI=1S/C15H13NS/c16-10-11-3-1-5-13(9-11)14-6-2-4-12-7-8-17-15(12)14/h1-9H,10,16H2
InChIKeyUKRJQZPHATYWAL-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.03
Rot. Bonds2

About [3-(1-benzothiophen-7-yl)phenyl]methanamine

[3-(1-benzothiophen-7-yl)phenyl]methanamine (PubChem CID 81154276) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is [3-(1-benzothiophen-7-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-benzothiophen-7-yl)phenyl]methanamine
PubChem CID81154276
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name[3-(1-benzothiophen-7-yl)phenyl]methanamine
SMILESNCc1cccc(-c2cccc3ccsc23)c1
InChIInChI=1S/C15H13NS/c16-10-11-3-1-5-13(9-11)14-6-2-4-12-7-8-17-15(12)14/h1-9H,10,16H2
InChIKeyUKRJQZPHATYWAL-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methanamine
CID 81153828
azuleno[1,2-b]thiophene
CID 5257479
[3-(2-benzofuran-4-yl)phenyl]methanamine
CID 175083312
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol
CID 160723042
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
N-[[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 81128766
3-(1-benzothiophen-7-yl)-5,6-dimethylpyrazin-2-amine
CID 81148217
1-[4-(1-benzothiophen-7-yl)phenyl]ethanone
CID 81153516
4-(1-benzothiophen-7-yl)-3-methylphenol
CID 83131287

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzothiophen-7-yl)phenyl]methanamine?
The IUPAC name of [3-(1-benzothiophen-7-yl)phenyl]methanamine (CID 81154276) is [3-(1-benzothiophen-7-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1-benzothiophen-7-yl)phenyl]methanamine?
The canonical SMILES for [3-(1-benzothiophen-7-yl)phenyl]methanamine is NCc1cccc(-c2cccc3ccsc23)c1.
What is the InChIKey of [3-(1-benzothiophen-7-yl)phenyl]methanamine?
The InChIKey is UKRJQZPHATYWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c16-10-11-3-1-5-13(9-11)14-6-2-4-12-7-8-17-15(12)14/h1-9H,10,16H2.
What are the key properties of [3-(1-benzothiophen-7-yl)phenyl]methanamine?
[3-(1-benzothiophen-7-yl)phenyl]methanamine has a molecular weight of 239.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzothiophen-7-yl)phenyl]methanamine is sourced from PubChem (CID 81154276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).