2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine

C10H13N3O2 — CID 28563

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IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine
SMILESNC(N)=NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13N3O2/c11-10(12)13-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H4,11,12,13)
InChIKeyWTDYJDLUNYALPM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.23
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine (PubChem CID 28563) 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-6-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine
PubChem CID28563
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine
SMILESNC(N)=NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13N3O2/c11-10(12)13-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H4,11,12,13)
InChIKeyWTDYJDLUNYALPM-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
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

Veratrylamine
CID 79832
N-(1,3-Benzodioxol-5-ylmethyl)guanidine
CID 28410
2,3-Dihydro-1,4-benzodioxin-6-methylamine
CID 87102
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-amine
CID 3146111
1-[(2,3-Dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 4962261
4-(Isothiocyanatomethyl)-1,2-dimethoxybenzene
CID 2758400
5-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-4,5-dihydropyrimidine-2,6-diamine
CID 44345036
3-methoxy-4-[3-[2-methoxy-4-(N'-methylcarbamimidoyl)phenoxy]propoxy]-N'-methylbenzenecarboximidamide;dihydrochloride
CID 90664549
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-amine
CID 3747027
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323629
Guanidine, ((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-, sulfate (2:1)
CID 135618135
4-Ethoxy-3-methoxybenzene-1-carbothioamide
CID 2492391

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine (CID 28563) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine is NC(N)=NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine?
The InChIKey is WTDYJDLUNYALPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(12)13-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H4,11,12,13).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine?
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine has a molecular weight of 207.23 g/mol, XLogP of 0.23, 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-6-ylmethyl)guanidine is sourced from PubChem (CID 28563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).