N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine

C18H23NO2 — CID 43498090

About N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 43498090) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
• PubChem CID: 43498090
• Molecular Formula: C18H23NO2
• Molecular Weight: 285.39 g/mol
• Exact Mass: 285.17
• IUPAC Name: N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
• SMILES: CCCNC(c1ccc2c(c1)CC(C)O2)c1ccc(C)o1
• InChI: InChI=1S/C18H23NO2/c1-4-9-19-18(17-7-5-12(2)20-17)14-6-8-16-15(11-14)10-13(3)21-16/h5-8,11,13,18-19H,4,9-10H2,1-3H3
• InChIKey: OMPFVHJJAIVOAT-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 34.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.39
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?

The IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine (CID 43498090) is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine.

What is the SMILES notation for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?

The canonical SMILES for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CC(C)O2)c1ccc(C)o1.

What is the InChIKey of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?

The InChIKey is OMPFVHJJAIVOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-9-19-18(17-7-5-12(2)20-17)14-6-8-16-15(11-14)10-13(3)21-16/h5-8,11,13,18-19H,4,9-10H2,1-3H3.

What are the key properties of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43498090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).