(1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine

C19H22N2O2 — CID 124694431

About (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine

(1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 124694431) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

• Compound Name: (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
• PubChem CID: 124694431
• Molecular Formula: C19H22N2O2
• Molecular Weight: 310.40 g/mol
• Exact Mass: 310.17
• IUPAC Name: (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
• SMILES: Cc1ncccc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1
• InChI: InChI=1S/C19H22N2O2/c1-13-16(3-2-8-20-13)12-21-19(14-4-5-14)15-6-7-17-18(11-15)23-10-9-22-17/h2-3,6-8,11,14,19,21H,4-5,9-10,12H2,1H3/t19-/m1/s1
• InChIKey: KAYVVDLDTYJSRI-LJQANCHMSA-N
• XLogP: 3.40
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.40
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?

The IUPAC name of (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine (CID 124694431) is (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine.

What is the SMILES notation for (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?

The canonical SMILES for (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine is Cc1ncccc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1.

What is the InChIKey of (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?

The InChIKey is KAYVVDLDTYJSRI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-16(3-2-8-20-13)12-21-19(14-4-5-14)15-6-7-17-18(11-15)23-10-9-22-17/h2-3,6-8,11,14,19,21H,4-5,9-10,12H2,1H3/t19-/m1/s1.

What are the key properties of (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?

(1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 124694431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).