(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine

C10H14N2O2 — CID 116939189

IUPAC(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
SMILESCc1cc2c(cc1C(N)N)OCCO2
InChIInChI=1S/C10H14N2O2/c1-6-4-8-9(14-3-2-13-8)5-7(6)10(11)12/h4-5,10H,2-3,11-12H2,1H3
InChIKeyPYSICTRRIXJTAS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.68
Rot. Bonds1

About (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine

(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine (PubChem CID 116939189) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine.

Molecular Properties

Compound Name(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
PubChem CID116939189
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
SMILESCc1cc2c(cc1C(N)N)OCCO2
InChIInChI=1S/C10H14N2O2/c1-6-4-8-9(14-3-2-13-8)5-7(6)10(11)12/h4-5,10H,2-3,11-12H2,1H3
InChIKeyPYSICTRRIXJTAS-UHFFFAOYSA-N
XLogP0.68
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116947302
1-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 116942116
3,4-diamino-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 116942825
methyl 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 116856934
dimethylamino-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanethiol
CID 116909433
2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
CID 116848474
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893
2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116945494
8-methyl-7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 142578042
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylethanol
CID 116830211

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine?
The IUPAC name of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine (CID 116939189) is (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine.
What is the SMILES notation for (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine?
The canonical SMILES for (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine is Cc1cc2c(cc1C(N)N)OCCO2.
What is the InChIKey of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine?
The InChIKey is PYSICTRRIXJTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-4-8-9(14-3-2-13-8)5-7(6)10(11)12/h4-5,10H,2-3,11-12H2,1H3.
What are the key properties of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine?
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine has a molecular weight of 194.23 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine is sourced from PubChem (CID 116939189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).