1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine

C14H13NS2 — CID 61407065

IUPAC1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc2ccccc2s1
InChIInChI=1S/C14H13NS2/c1-15-14(12-7-4-8-16-12)13-9-10-5-2-3-6-11(10)17-13/h2-9,14-15H,1H3
InChIKeyFFPLXNXEYQFKMN-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.27
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine

1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 61407065) has the molecular formula C14H13NS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID61407065
Molecular FormulaC14H13NS2
Molecular Weight259.40 g/mol
Exact Mass259.05
IUPAC Name1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc2ccccc2s1
InChIInChI=1S/C14H13NS2/c1-15-14(12-7-4-8-16-12)13-9-10-5-2-3-6-11(10)17-13/h2-9,14-15H,1H3
InChIKeyFFPLXNXEYQFKMN-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo(thiophen-2-yl)methyl]-1-benzothiophene
CID 63442235
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023280
1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130130
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470
[1-benzothiophen-2-yl(1-benzothiophen-7-yl)methyl]hydrazine
CID 105327686
N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102840880
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
CID 105285358
1-(1-benzothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61407015
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine (CID 61407065) is 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is FFPLXNXEYQFKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS2/c1-15-14(12-7-4-8-16-12)13-9-10-5-2-3-6-11(10)17-13/h2-9,14-15H,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 259.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 61407065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).