[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine

C17H17NO3 — CID 117182688

IUPAC[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
SMILESCOc1ccccc1OCc1cc2cccc(CN)c2o1
InChIInChI=1S/C17H17NO3/c1-19-15-7-2-3-8-16(15)20-11-14-9-12-5-4-6-13(10-18)17(12)21-14/h2-9H,10-11,18H2,1H3
InChIKeyWCJCPSJDTTXCGW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.48
Rot. Bonds5

About [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine

[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine (PubChem CID 117182688) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
PubChem CID117182688
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
SMILESCOc1ccccc1OCc1cc2cccc(CN)c2o1
InChIInChI=1S/C17H17NO3/c1-19-15-7-2-3-8-16(15)20-11-14-9-12-5-4-6-13(10-18)17(12)21-14/h2-9H,10-11,18H2,1H3
InChIKeyWCJCPSJDTTXCGW-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

[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine
CID 84672518
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117175918
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170223
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117172297
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine (CID 117182688) is [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine is COc1ccccc1OCc1cc2cccc(CN)c2o1.
What is the InChIKey of [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The InChIKey is WCJCPSJDTTXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-15-7-2-3-8-16(15)20-11-14-9-12-5-4-6-13(10-18)17(12)21-14/h2-9H,10-11,18H2,1H3.
What are the key properties of [2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine?
[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-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-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 117182688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).