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

C18H27NO — CID 66360867

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

2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66360867) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
• PubChem CID: 66360867
• Molecular Formula: C18H27NO
• Molecular Weight: 273.42 g/mol
• Exact Mass: 273.21
• IUPAC Name: 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
• SMILES: Cc1ccc2c(c1)CC(CC1(CNC(C)(C)C)CC1)O2
• InChI: InChI=1S/C18H27NO/c1-13-5-6-16-14(9-13)10-15(20-16)11-18(7-8-18)12-19-17(2,3)4/h5-6,9,15,19H,7-8,10-12H2,1-4H3
• InChIKey: GCUWYYFKECDLTH-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.42
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66360867) is 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine.

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

The canonical SMILES for 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine is Cc1ccc2c(c1)CC(CC1(CNC(C)(C)C)CC1)O2.

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

The InChIKey is GCUWYYFKECDLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-5-6-16-14(9-13)10-15(20-16)11-18(7-8-18)12-19-17(2,3)4/h5-6,9,15,19H,7-8,10-12H2,1-4H3.

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

2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66360867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).