3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine

C14H12N2O2 — CID 117170427

IUPAC3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
SMILESNc1cccc2occ(COc3cccnc3)c12
InChIInChI=1S/C14H12N2O2/c15-12-4-1-5-13-14(12)10(9-18-13)8-17-11-3-2-6-16-7-11/h1-7,9H,8,15H2
InChIKeyTYYADKCQPJCYGF-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.99
Rot. Bonds3

About 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine

3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine (PubChem CID 117170427) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine.

Molecular Properties

Compound Name3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
PubChem CID117170427
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
SMILESNc1cccc2occ(COc3cccnc3)c12
InChIInChI=1S/C14H12N2O2/c15-12-4-1-5-13-14(12)10(9-18-13)8-17-11-3-2-6-16-7-11/h1-7,9H,8,15H2
InChIKeyTYYADKCQPJCYGF-UHFFFAOYSA-N
XLogP2.99
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.99
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-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
CID 117170417
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174169
3-(pyridin-3-yloxymethyl)-1H-indol-7-amine
CID 117182000
4-bromo-3-(phenoxymethyl)-1-benzofuran
CID 117170327
3-[(dimethylamino)methyl]-1-benzofuran-4-amine
CID 117170261
3-(furan-3-ylmethoxy)pyridine
CID 112558860
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
[3-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170233

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine?
The IUPAC name of 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine (CID 117170427) is 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine.
What is the SMILES notation for 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine?
The canonical SMILES for 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine is Nc1cccc2occ(COc3cccnc3)c12.
What is the InChIKey of 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine?
The InChIKey is TYYADKCQPJCYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-12-4-1-5-13-14(12)10(9-18-13)8-17-11-3-2-6-16-7-11/h1-7,9H,8,15H2.
What are the key properties of 3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine?
3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine has a molecular weight of 240.26 g/mol, XLogP of 2.99, 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-benzofuran-4-amine is sourced from PubChem (CID 117170427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).