[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

C₁₃H₁₈N₂O₃ — CID 116944912

About [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (PubChem CID 116944912) has the molecular formula C₁₃H₁₈N₂O₃ and a molecular weight of 250.30 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

• Compound Name: [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
• PubChem CID: 116944912
• Molecular Formula: C₁₃H₁₈N₂O₃
• Molecular Weight: 250.30 g/mol
• Exact Mass: 250.13
• IUPAC Name: [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
• SMILES: NCC1(C(N)c2ccc3c(c2)OCCO3)COC1
• InChI: InChI=1S/C13H18N2O3/c14-6-13(7-16-8-13)12(15)9-1-2-10-11(5-9)18-4-3-17-10/h1-2,5,12H,3-4,6-8,14-15H2
• InChIKey: VZFZWVVBKGVNRU-UHFFFAOYSA-N
• XLogP: 0.43
• TPSA: 79.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.30
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?

The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (CID 116944912) is [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?

The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is NCC1(C(N)c2ccc3c(c2)OCCO3)COC1.

What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?

The InChIKey is VZFZWVVBKGVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-6-13(7-16-8-13)12(15)9-1-2-10-11(5-9)18-4-3-17-10/h1-2,5,12H,3-4,6-8,14-15H2.

What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?

[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 250.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 116944912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116944912 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.