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

C17H17NO3 — CID 117170223

IUPAC[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
SMILESCOc1ccccc1OCc1coc2cccc(CN)c12
InChIInChI=1S/C17H17NO3/c1-19-14-6-2-3-7-15(14)20-10-13-11-21-16-8-4-5-12(9-18)17(13)16/h2-8,11H,9-10,18H2,1H3
InChIKeyMCLVDRRXUQXBDN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.48
Rot. Bonds5

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

[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine (PubChem CID 117170223) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
PubChem CID117170223
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
SMILESCOc1ccccc1OCc1coc2cccc(CN)c12
InChIInChI=1S/C17H17NO3/c1-19-14-6-2-3-7-15(14)20-10-13-11-21-16-8-4-5-12(9-18)17(13)16/h2-8,11H,9-10,18H2,1H3
InChIKeyMCLVDRRXUQXBDN-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

[3-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170233
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117170357
[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117182688
3-[(2-hydroxyphenoxy)methyl]-1-benzofuran-4-carboxylic acid
CID 117170500
3-(2-bromoethyl)-4-methoxy-1-benzofuran
CID 121364894
[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729570
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
4-[(2-methoxyphenoxy)methyl]-1,3-oxazol-2-amine
CID 117190945
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
The IUPAC name of [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine (CID 117170223) is [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine.
What is the SMILES notation for [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
The canonical SMILES for [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine is COc1ccccc1OCc1coc2cccc(CN)c12.
What is the InChIKey of [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
The InChIKey is MCLVDRRXUQXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-14-6-2-3-7-15(14)20-10-13-11-21-16-8-4-5-12(9-18)17(13)16/h2-8,11H,9-10,18H2,1H3.
What are the key properties of [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine?
[3-[(2-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 [3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine is sourced from PubChem (CID 117170223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).