[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine

C15H14N2OS — CID 117183170

IUPAC[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2cc(COc3cccnc3)sc12
InChIInChI=1S/C15H14N2OS/c16-8-12-4-1-3-11-7-14(19-15(11)12)10-18-13-5-2-6-17-9-13/h1-7,9H,8,10,16H2
InChIKeyDAXXPBUSCLHNPC-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.33
Rot. Bonds4

About [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine

[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine (PubChem CID 117183170) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine.

Molecular Properties

Compound Name[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
PubChem CID117183170
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2cc(COc3cccnc3)sc12
InChIInChI=1S/C15H14N2OS/c16-8-12-4-1-3-11-7-14(19-15(11)12)10-18-13-5-2-6-17-9-13/h1-7,9H,8,10,16H2
InChIKeyDAXXPBUSCLHNPC-UHFFFAOYSA-N
XLogP3.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
CID 117185338
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
2-[(4-methoxyphenoxy)methyl]-1-benzothiophen-7-amine
CID 117183296
[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174169
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
5-chloro-2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
CID 117255772
[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62451931
[2-[(3-methoxyphenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117172724
7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
CID 117183285
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300

Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine?
The IUPAC name of [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine (CID 117183170) is [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine.
What is the SMILES notation for [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine?
The canonical SMILES for [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine is NCc1cccc2cc(COc3cccnc3)sc12.
What is the InChIKey of [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine?
The InChIKey is DAXXPBUSCLHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-8-12-4-1-3-11-7-14(19-15(11)12)10-18-13-5-2-6-17-9-13/h1-7,9H,8,10,16H2.
What are the key properties of [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine?
[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine is sourced from PubChem (CID 117183170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).