[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine

C17H17NO3 — CID 117172174

IUPAC[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
SMILESCOc1cccc(OCc2cc3c(CN)cccc3o2)c1
InChIInChI=1S/C17H17NO3/c1-19-13-5-3-6-14(8-13)20-11-15-9-16-12(10-18)4-2-7-17(16)21-15/h2-9H,10-11,18H2,1H3
InChIKeyIURCJUOPBNLDCR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.48
Rot. Bonds5

About [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine

[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine (PubChem CID 117172174) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
PubChem CID117172174
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
SMILESCOc1cccc(OCc2cc3c(CN)cccc3o2)c1
InChIInChI=1S/C17H17NO3/c1-19-13-5-3-6-14(8-13)20-11-15-9-16-12(10-18)4-2-7-17(16)21-15/h2-9H,10-11,18H2,1H3
InChIKeyIURCJUOPBNLDCR-UHFFFAOYSA-N
XLogP3.48
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
CID 117172164
3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol
CID 117172173
[2-[(3-methoxyphenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117172724
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
CID 97035067
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117184698
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60880025
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62440838

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
The IUPAC name of [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine (CID 117172174) is [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine.
What is the SMILES notation for [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
The canonical SMILES for [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine is COc1cccc(OCc2cc3c(CN)cccc3o2)c1.
What is the InChIKey of [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
The InChIKey is IURCJUOPBNLDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-13-5-3-6-14(8-13)20-11-15-9-16-12(10-18)4-2-7-17(16)21-15/h2-9H,10-11,18H2,1H3.
What are the key properties of [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine is sourced from PubChem (CID 117172174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).