2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine

C10H13N3O2 — CID 16564

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IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine
SMILESNC(N)=NCC1COc2ccccc2O1
InChIInChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
InChIKeyHIUVKVDQFXDZHU-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.10
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine (PubChem CID 16564) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine
PubChem CID16564
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine
SMILESNC(N)=NCC1COc2ccccc2O1
InChIInChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
InChIKeyHIUVKVDQFXDZHU-UHFFFAOYSA-N
XLogP0.10
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Idazoxan
CID 54459
Idazoxan Hydrochloride
CID 154494
2,3-Dihydro-1,4-benzodioxine-2-carbothioamide
CID 2779081
(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine
CID 16714
2-Aminomethyl-1,4-benzodioxane
CID 15053
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanamine
CID 55648
Quiloflex
CID 16828
Butamoxan
CID 20504
N-Ethyl-2,3-dihydro-1,4-benzodioxin-2-methanamine
CID 30614
((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)(propyl)amine hydrochloride
CID 9552052
2-[2-(2-Aminoethoxy)phenoxy]ethan-1-amine hydrochloride
CID 16196031
2,3-Dihydro-1,4-benzodioxine-2-carboximidamide
CID 2737433

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine (CID 16564) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine is NC(N)=NCC1COc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine?
The InChIKey is HIUVKVDQFXDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine has a molecular weight of 207.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine is sourced from PubChem (CID 16564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).