3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine

Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₀N₂O₂ — CID 115214038

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine

SMILESNC1CC(CNCc2ccc3c(c2)OCCO3)C1

InChIInChI=1S/C14H20N2O2/c15-12-5-11(6-12)9-16-8-10-1-2-13-14(7-10)18-4-3-17-13/h1-2,7,11-12,16H,3-6,8-9,15H2

InChIKeyMXCJDLMZSCELJC-UHFFFAOYSA-N

MW248.33 g/mol

LogP1.28

Rot. Bonds4

About 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine

3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine (PubChem CID 115214038) has the molecular formula C₁₄H₂₀N₂O₂ and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name	3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine
PubChem CID	115214038
Molecular Formula	C₁₄H₂₀N₂O₂
Molecular Weight	248.33 g/mol
Exact Mass	248.15
IUPAC Name	3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine
SMILES	NC1CC(CNCc2ccc3c(c2)OCCO3)C1
InChI	InChI=1S/C14H20N2O2/c15-12-5-11(6-12)9-16-8-10-1-2-13-14(7-10)18-4-3-17-13/h1-2,7,11-12,16H,3-6,8-9,15H2
InChIKey	MXCJDLMZSCELJC-UHFFFAOYSA-N
XLogP	1.28
TPSA	56.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.33
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine?

The IUPAC name of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine (CID 115214038) is 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine.

What is the SMILES notation for 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine?

The canonical SMILES for 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine is NC1CC(CNCc2ccc3c(c2)OCCO3)C1.

What is the InChIKey of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine?

The InChIKey is MXCJDLMZSCELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-5-11(6-12)9-16-8-10-1-2-13-14(7-10)18-4-3-17-13/h1-2,7,11-12,16H,3-6,8-9,15H2.

What are the key properties of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine?

3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115214038 — identifiers, structure, computed properties (public domain)

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