1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine

C16H19N3O2 — CID 119111760

About 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine

1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 119111760) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine
• PubChem CID: 119111760
• Molecular Formula: C16H19N3O2
• Molecular Weight: 285.35 g/mol
• Exact Mass: 285.15
• IUPAC Name: 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine
• SMILES: c1c[nH]c(CNC(c2ccc3c(c2)OCCO3)C2CC2)n1
• InChI: InChI=1S/C16H19N3O2/c1-2-11(1)16(19-10-15-17-5-6-18-15)12-3-4-13-14(9-12)21-8-7-20-13/h3-6,9,11,16,19H,1-2,7-8,10H2,(H,17,18)
• InChIKey: XDBQQZLRMPSUFL-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 59.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.35
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine?

The IUPAC name of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine (CID 119111760) is 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine.

What is the SMILES notation for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine?

The canonical SMILES for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine is c1c[nH]c(CNC(c2ccc3c(c2)OCCO3)C2CC2)n1.

What is the InChIKey of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine?

The InChIKey is XDBQQZLRMPSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-11(1)16(19-10-15-17-5-6-18-15)12-3-4-13-14(9-12)21-8-7-20-13/h3-6,9,11,16,19H,1-2,7-8,10H2,(H,17,18).

What are the key properties of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine?

1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 285.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 119111760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).