3-(phenoxymethyl)-1-benzofuran-7-amine

C15H13NO2 — CID 117181023

IUPAC3-(phenoxymethyl)-1-benzofuran-7-amine
SMILESNc1cccc2c(COc3ccccc3)coc12
InChIInChI=1S/C15H13NO2/c16-14-8-4-7-13-11(10-18-15(13)14)9-17-12-5-2-1-3-6-12/h1-8,10H,9,16H2
InChIKeyVVBKAKTWOWZHIZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.59
Rot. Bonds3

About 3-(phenoxymethyl)-1-benzofuran-7-amine

3-(phenoxymethyl)-1-benzofuran-7-amine (PubChem CID 117181023) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1-benzofuran-7-amine.

Molecular Properties

Compound Name3-(phenoxymethyl)-1-benzofuran-7-amine
PubChem CID117181023
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(phenoxymethyl)-1-benzofuran-7-amine
SMILESNc1cccc2c(COc3ccccc3)coc12
InChIInChI=1S/C15H13NO2/c16-14-8-4-7-13-11(10-18-15(13)14)9-17-12-5-2-1-3-6-12/h1-8,10H,9,16H2
InChIKeyVVBKAKTWOWZHIZ-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

3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089
3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
CID 117181082
3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-7-amine
CID 117181079
3-(ethoxymethyl)-1-benzofuran-7-amine
CID 117181114
3-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181176
3-[(4-methoxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181179
3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181173

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1-benzofuran-7-amine?
The IUPAC name of 3-(phenoxymethyl)-1-benzofuran-7-amine (CID 117181023) is 3-(phenoxymethyl)-1-benzofuran-7-amine.
What is the SMILES notation for 3-(phenoxymethyl)-1-benzofuran-7-amine?
The canonical SMILES for 3-(phenoxymethyl)-1-benzofuran-7-amine is Nc1cccc2c(COc3ccccc3)coc12.
What is the InChIKey of 3-(phenoxymethyl)-1-benzofuran-7-amine?
The InChIKey is VVBKAKTWOWZHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-14-8-4-7-13-11(10-18-15(13)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-7-amine?
3-(phenoxymethyl)-1-benzofuran-7-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-7-amine is sourced from PubChem (CID 117181023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).