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

C17H17NO2 — CID 62452377

IUPAC[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESCc1cccc(OCc2oc3ccccc3c2CN)c1
InChIInChI=1S/C17H17NO2/c1-12-5-4-6-13(9-12)19-11-17-15(10-18)14-7-2-3-8-16(14)20-17/h2-9H,10-11,18H2,1H3
InChIKeyOHIUKSYMLBNWCJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.78
Rot. Bonds4

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

[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62452377) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID62452377
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESCc1cccc(OCc2oc3ccccc3c2CN)c1
InChIInChI=1S/C17H17NO2/c1-12-5-4-6-13(9-12)19-11-17-15(10-18)14-7-2-3-8-16(14)20-17/h2-9H,10-11,18H2,1H3
InChIKeyOHIUKSYMLBNWCJ-UHFFFAOYSA-N
XLogP3.78
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484970
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
[3-[(3-iodophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62485146
[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 63217029
1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62458875
[2-[(4-bromo-2-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484613
[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62486744
[2-(but-2-enoxymethyl)-1-benzofuran-3-yl]methanamine
CID 76943731
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 63648436

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine (CID 62452377) is [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine is Cc1cccc(OCc2oc3ccccc3c2CN)c1.
What is the InChIKey of [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is OHIUKSYMLBNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-5-4-6-13(9-12)19-11-17-15(10-18)14-7-2-3-8-16(14)20-17/h2-9H,10-11,18H2,1H3.
What are the key properties of [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62452377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).