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

C17H19NO2 — CID 106791668

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-11-3-5-14(16(9-11)19-2)17(18)13-4-6-15-12(10-13)7-8-20-15/h3-6,9-10,17H,7-8,18H2,1-2H3
InChIKeyVUOXRTGXPUONMV-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.99
Rot. Bonds3

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

2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine (PubChem CID 106791668) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
PubChem CID106791668
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO2/c1-11-3-5-14(16(9-11)19-2)17(18)13-4-6-15-12(10-13)7-8-20-15/h3-6,9-10,17H,7-8,18H2,1-2H3
InChIKeyVUOXRTGXPUONMV-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-5-yl-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106794016
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 62199757
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine (CID 106791668) is 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine is COc1cc(C)ccc1C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine?
The InChIKey is VUOXRTGXPUONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-3-5-14(16(9-11)19-2)17(18)13-4-6-15-12(10-13)7-8-20-15/h3-6,9-10,17H,7-8,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine?
2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-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-5-yl-(2-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 106791668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).