[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine

C16H15NO2 — CID 117172164

IUPAC[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
SMILESNCc1cccc2oc(COc3ccccc3)cc12
InChIInChI=1S/C16H15NO2/c17-10-12-5-4-8-16-15(12)9-14(19-16)11-18-13-6-2-1-3-7-13/h1-9H,10-11,17H2
InChIKeyNIXBIYMAZZWPRB-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.47
Rot. Bonds4

About [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine

[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine (PubChem CID 117172164) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine.

Molecular Properties

Compound Name[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
PubChem CID117172164
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
SMILESNCc1cccc2oc(COc3ccccc3)cc12
InChIInChI=1S/C16H15NO2/c17-10-12-5-4-8-16-15(12)9-14(19-16)11-18-13-6-2-1-3-7-13/h1-9H,10-11,17H2
InChIKeyNIXBIYMAZZWPRB-UHFFFAOYSA-N
XLogP3.47
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol
CID 117172173
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117172174
2-(phenoxymethyl)-1-benzofuran-4-carboxylic acid
CID 117172434
2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine
CID 117172336
[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484970
2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
CID 117184713
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
3-[(4-fluoro-1-benzofuran-2-yl)methoxy]pyridine
CID 117172370
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid
CID 117172450
[3-[(3-iodophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62485146
[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine?
The IUPAC name of [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine (CID 117172164) is [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine.
What is the SMILES notation for [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine?
The canonical SMILES for [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine is NCc1cccc2oc(COc3ccccc3)cc12.
What is the InChIKey of [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine?
The InChIKey is NIXBIYMAZZWPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-10-12-5-4-8-16-15(12)9-14(19-16)11-18-13-6-2-1-3-7-13/h1-9H,10-11,17H2.
What are the key properties of [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine?
[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine has a molecular weight of 253.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine is sourced from PubChem (CID 117172164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).