3-(phenoxymethyl)-1-benzofuran-4-amine

C15H13NO2 — CID 117170323

IUPAC3-(phenoxymethyl)-1-benzofuran-4-amine
SMILESNc1cccc2occ(COc3ccccc3)c12
InChIInChI=1S/C15H13NO2/c16-13-7-4-8-14-15(13)11(10-18-14)9-17-12-5-2-1-3-6-12/h1-8,10H,9,16H2
InChIKeyUJVGBQMKXQAZTD-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.59
Rot. Bonds3

About 3-(phenoxymethyl)-1-benzofuran-4-amine

3-(phenoxymethyl)-1-benzofuran-4-amine (PubChem CID 117170323) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1-benzofuran-4-amine.

Molecular Properties

Compound Name3-(phenoxymethyl)-1-benzofuran-4-amine
PubChem CID117170323
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(phenoxymethyl)-1-benzofuran-4-amine
SMILESNc1cccc2occ(COc3ccccc3)c12
InChIInChI=1S/C15H13NO2/c16-13-7-4-8-14-15(13)11(10-18-14)9-17-12-5-2-1-3-6-12/h1-8,10H,9,16H2
InChIKeyUJVGBQMKXQAZTD-UHFFFAOYSA-N
XLogP3.59
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-4-amine
CID 117170427
4-bromo-3-(phenoxymethyl)-1-benzofuran
CID 117170327
3-(phenoxymethyl)-1-benzofuran-7-amine
CID 117181023
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
[3-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170233
3-[(dimethylamino)methyl]-1-benzofuran-4-amine
CID 117170261
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
CID 117170423
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170223
3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1-benzofuran-4-amine?
The IUPAC name of 3-(phenoxymethyl)-1-benzofuran-4-amine (CID 117170323) is 3-(phenoxymethyl)-1-benzofuran-4-amine.
What is the SMILES notation for 3-(phenoxymethyl)-1-benzofuran-4-amine?
The canonical SMILES for 3-(phenoxymethyl)-1-benzofuran-4-amine is Nc1cccc2occ(COc3ccccc3)c12.
What is the InChIKey of 3-(phenoxymethyl)-1-benzofuran-4-amine?
The InChIKey is UJVGBQMKXQAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-13-7-4-8-14-15(13)11(10-18-14)9-17-12-5-2-1-3-6-12/h1-8,10H,9,16H2.
What are the key properties of 3-(phenoxymethyl)-1-benzofuran-4-amine?
3-(phenoxymethyl)-1-benzofuran-4-amine has a molecular weight of 239.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1-benzofuran-4-amine is sourced from PubChem (CID 117170323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).