3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine

C14H12N2OS — CID 117178142

IUPAC3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine
SMILESNc1ccc2c(COc3cccnc3)csc2c1
InChIInChI=1S/C14H12N2OS/c15-11-3-4-13-10(9-18-14(13)6-11)8-17-12-2-1-5-16-7-12/h1-7,9H,8,15H2
InChIKeyBYFKBAJWJGBZFC-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.46
Rot. Bonds3

About 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine

3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine (PubChem CID 117178142) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine.

Molecular Properties

Compound Name3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine
PubChem CID117178142
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine
SMILESNc1ccc2c(COc3cccnc3)csc2c1
InChIInChI=1S/C14H12N2OS/c15-11-3-4-13-10(9-18-14(13)6-11)8-17-12-2-1-5-16-7-12/h1-7,9H,8,15H2
InChIKeyBYFKBAJWJGBZFC-UHFFFAOYSA-N
XLogP3.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117178145
methyl 3-(pyridin-3-yloxymethyl)-1-benzothiophene-6-carboxylate
CID 54509660
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-6-amine
CID 117178087
3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117170950
(6-amino-1-benzothiophen-3-yl)methanethiol
CID 117178186
4-(pyridin-3-yloxymethyl)benzene-1,3-diol
CID 117219782
3-(phenoxymethyl)-1-benzothiophene-6-carboxylic acid
CID 117178205
3-[(dimethylamino)methyl]-1-benzothiophen-6-amine
CID 117178026
3-(methylaminomethyl)-1-benzothiophen-6-amine
CID 117178025
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
5-amino-2-(1-benzothiophen-3-ylmethoxy)benzonitrile
CID 63744509

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine?
The IUPAC name of 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine (CID 117178142) is 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine.
What is the SMILES notation for 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine?
The canonical SMILES for 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine is Nc1ccc2c(COc3cccnc3)csc2c1.
What is the InChIKey of 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine?
The InChIKey is BYFKBAJWJGBZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-11-3-4-13-10(9-18-14(13)6-11)8-17-12-2-1-5-16-7-12/h1-7,9H,8,15H2.
What are the key properties of 3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine?
3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine has a molecular weight of 256.33 g/mol, XLogP of 3.46, 3 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-6-amine is sourced from PubChem (CID 117178142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).