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

C18H17NO2 — CID 105189386

IUPAC2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3cccc4c3OCC4)cc2c1
InChIInChI=1S/C18H17NO2/c1-11-5-6-15-13(9-11)10-16(21-15)17(19)14-4-2-3-12-7-8-20-18(12)14/h2-6,9-10,17H,7-8,19H2,1H3
InChIKeyXZAUHQIPNCQMBQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.72
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105189386) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105189386
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3cccc4c3OCC4)cc2c1
InChIInChI=1S/C18H17NO2/c1-11-5-6-15-13(9-11)10-16(21-15)17(19)14-4-2-3-12-7-8-20-18(12)14/h2-6,9-10,17H,7-8,19H2,1H3
InChIKeyXZAUHQIPNCQMBQ-UHFFFAOYSA-N
XLogP3.72
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.72
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-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
2,3-dihydro-1-benzofuran-7-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755970
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
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-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105189386) is 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3cccc4c3OCC4)cc2c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is XZAUHQIPNCQMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11-5-6-15-13(9-11)10-16(21-15)17(19)14-4-2-3-12-7-8-20-18(12)14/h2-6,9-10,17H,7-8,19H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 279.34 g/mol, XLogP of 3.72, 2 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-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105189386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).