[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

C17H19NO2 — CID 104703447

IUPAC[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)c3c(c2)CCO3)cc1C
InChIInChI=1S/C17H19NO2/c1-11-7-12(3-4-16(11)19-2)14-8-13-5-6-20-17(13)15(9-14)10-18/h3-4,7-9H,5-6,10,18H2,1-2H3
InChIKeyCIJXHBLADOJGEN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.06
Rot. Bonds3

About [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (PubChem CID 104703447) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
PubChem CID104703447
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)c3c(c2)CCO3)cc1C
InChIInChI=1S/C17H19NO2/c1-11-7-12(3-4-16(11)19-2)14-8-13-5-6-20-17(13)15(9-14)10-18/h3-4,7-9H,5-6,10,18H2,1-2H3
InChIKeyCIJXHBLADOJGEN-UHFFFAOYSA-N
XLogP3.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine with MolForge

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Related Compounds

[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703299
[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703426
[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703353
[5-(3,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703330
[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703465
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[5-(2,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703413
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 113443092
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The IUPAC name of [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (CID 104703447) is [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is COc1ccc(-c2cc(CN)c3c(c2)CCO3)cc1C.
What is the InChIKey of [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The InChIKey is CIJXHBLADOJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-12(3-4-16(11)19-2)14-8-13-5-6-20-17(13)15(9-14)10-18/h3-4,7-9H,5-6,10,18H2,1-2H3.
What are the key properties of [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine has a molecular weight of 269.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 104703447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).