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

C15H14N2OS — CID 62451931

IUPAC[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2ccccc2c1COc1cccnc1
InChIInChI=1S/C15H14N2OS/c16-8-15-13(10-18-11-4-3-7-17-9-11)12-5-1-2-6-14(12)19-15/h1-7,9H,8,10,16H2
InChIKeyMFFRDYICFWIRCT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.33
Rot. Bonds4

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

[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine (PubChem CID 62451931) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine
PubChem CID62451931
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2ccccc2c1COc1cccnc1
InChIInChI=1S/C15H14N2OS/c16-8-15-13(10-18-11-4-3-7-17-9-11)12-5-1-2-6-14(12)19-15/h1-7,9H,8,10,16H2
InChIKeyMFFRDYICFWIRCT-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

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Related Compounds

[3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 116793579
[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 62442811
[3-(1,1,1-trifluoropropan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 66274453
1-[4-fluoro-3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62450292
3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine
CID 152537650
[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458958
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
[3-(oxan-4-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485117
5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine
CID 117217667
[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62447807
3-[(2,4,6-trimethylphenyl)methoxy]pyridine
CID 112558779

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine (CID 62451931) is [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine is NCc1sc2ccccc2c1COc1cccnc1.
What is the InChIKey of [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
The InChIKey is MFFRDYICFWIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-8-15-13(10-18-11-4-3-7-17-9-11)12-5-1-2-6-14(12)19-15/h1-7,9H,8,10,16H2.
What are the key properties of [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-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 [3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62451931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).