1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine

C17H13NS2 — CID 105021781

IUPAC1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
SMILESNC(c1csc2ccccc12)c1cccc2ccsc12
InChIInChI=1S/C17H13NS2/c18-16(13-6-3-4-11-8-9-19-17(11)13)14-10-20-15-7-2-1-5-12(14)15/h1-10,16H,18H2
InChIKeyJCAPAFHQNYVLLZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.16
Rot. Bonds2

About 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine

1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine (PubChem CID 105021781) has the molecular formula C17H13NS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
PubChem CID105021781
Molecular FormulaC17H13NS2
Molecular Weight295.43 g/mol
Exact Mass295.05
IUPAC Name1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
SMILESNC(c1csc2ccccc12)c1cccc2ccsc12
InChIInChI=1S/C17H13NS2/c18-16(13-6-3-4-11-8-9-19-17(11)13)14-10-20-15-7-2-1-5-12(14)15/h1-10,16H,18H2
InChIKeyJCAPAFHQNYVLLZ-UHFFFAOYSA-N
XLogP5.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanamine
CID 81154128
1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
CID 81129802
1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733291
1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024860
[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine (CID 105021781) is 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine is NC(c1csc2ccccc12)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine?
The InChIKey is JCAPAFHQNYVLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NS2/c18-16(13-6-3-4-11-8-9-19-17(11)13)14-10-20-15-7-2-1-5-12(14)15/h1-10,16H,18H2.
What are the key properties of 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine?
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine has a molecular weight of 295.43 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine is sourced from PubChem (CID 105021781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).