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

C17H19NO2 — CID 105053233

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1cccc2c1OCC2
InChIInChI=1S/C17H19NO2/c1-11-6-7-15(19-2)14(10-11)16(18)13-5-3-4-12-8-9-20-17(12)13/h3-7,10,16H,8-9,18H2,1-2H3
InChIKeyYIPLXMIEESDNKN-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.99
Rot. Bonds3

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

2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 105053233) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
PubChem CID105053233
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1cccc2c1OCC2
InChIInChI=1S/C17H19NO2/c1-11-6-7-15(19-2)14(10-11)16(18)13-5-3-4-12-8-9-20-17(12)13/h3-7,10,16H,8-9,18H2,1-2H3
InChIKeyYIPLXMIEESDNKN-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189386
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 114745887
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
2,3-dihydro-1-benzofuran-7-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755970
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine (CID 105053233) is 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C)cc1C(N)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is YIPLXMIEESDNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-6-7-15(19-2)14(10-11)16(18)13-5-3-4-12-8-9-20-17(12)13/h3-7,10,16H,8-9,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine?
2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 105053233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).