3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol

C16H15NO3 — CID 117172173

IUPAC3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol
SMILESNCc1cccc2oc(COc3cccc(O)c3)cc12
InChIInChI=1S/C16H15NO3/c17-9-11-3-1-6-16-15(11)8-14(20-16)10-19-13-5-2-4-12(18)7-13/h1-8,18H,9-10,17H2
InChIKeyOBKMCAXSLOAAMX-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.18
Rot. Bonds4

About 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol

3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol (PubChem CID 117172173) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol
PubChem CID117172173
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol
SMILESNCc1cccc2oc(COc3cccc(O)c3)cc12
InChIInChI=1S/C16H15NO3/c17-9-11-3-1-6-16-15(11)8-14(20-16)10-19-13-5-2-4-12(18)7-13/h1-8,18H,9-10,17H2
InChIKeyOBKMCAXSLOAAMX-UHFFFAOYSA-N
XLogP3.18
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
CID 117172164
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117172174
3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181704
3-[(2-amino-1,3-oxazol-5-yl)methoxy]phenol
CID 117192267
2-(phenoxymethyl)-1-benzofuran-4-carboxylic acid
CID 117172434
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
3-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469612
[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484970
3-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-3-yl]methoxy]phenol
CID 117181212
3-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methoxy]phenol
CID 117182950
2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine
CID 117172336
3-[(4-fluoro-1-benzofuran-2-yl)methoxy]pyridine
CID 117172370

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol?
The IUPAC name of 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol (CID 117172173) is 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol.
What is the SMILES notation for 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol?
The canonical SMILES for 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol is NCc1cccc2oc(COc3cccc(O)c3)cc12.
What is the InChIKey of 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol?
The InChIKey is OBKMCAXSLOAAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c17-9-11-3-1-6-16-15(11)8-14(20-16)10-19-13-5-2-4-12(18)7-13/h1-8,18H,9-10,17H2.
What are the key properties of 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol?
3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol has a molecular weight of 269.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol is sourced from PubChem (CID 117172173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).