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

C18H27NO2 — CID 81330623

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

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 81330623) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
• PubChem CID: 81330623
• Molecular Formula: C18H27NO2
• Molecular Weight: 289.42 g/mol
• Exact Mass: 289.20
• IUPAC Name: N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
• SMILES: CCCNC(c1ccc2c(c1)CC(C)O2)C1CCC(C)O1
• InChI: InChI=1S/C18H27NO2/c1-4-9-19-18(17-7-5-12(2)20-17)14-6-8-16-15(11-14)10-13(3)21-16/h6,8,11-13,17-19H,4-5,7,9-10H2,1-3H3
• InChIKey: XAYQRFQVNVRVDC-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 30.49 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	289.42
LogP ≤ 5	3.62
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-methyloxolan-2-yl)methyl]propan-1-amine?

The IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (CID 81330623) is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.

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

The canonical SMILES for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-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-methyloxolan-2-yl)methyl]propan-1-amine?

The InChIKey is XAYQRFQVNVRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-9-19-18(17-7-5-12(2)20-17)14-6-8-16-15(11-14)10-13(3)21-16/h6,8,11-13,17-19H,4-5,7,9-10H2,1-3H3.

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

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.62, 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-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81330623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).