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

C11H15NO3 — CID 116947302

IUPACmethoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCOC(N)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C11H15NO3/c1-7-5-9-10(15-4-3-14-9)6-8(7)11(12)13-2/h5-6,11H,3-4,12H2,1-2H3
InChIKeyVMDPRNHMVVZNBL-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.37
Rot. Bonds2

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

methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (PubChem CID 116947302) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

Compound Namemethoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
PubChem CID116947302
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCOC(N)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C11H15NO3/c1-7-5-9-10(15-4-3-14-9)6-8(7)11(12)13-2/h5-6,11H,3-4,12H2,1-2H3
InChIKeyVMDPRNHMVVZNBL-UHFFFAOYSA-N
XLogP1.37
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
methyl 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 116856934
1-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 116942116
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
dimethylamino-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanethiol
CID 116909433
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893
2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
CID 116848474
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
3,4-diamino-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 116942825
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 methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The IUPAC name of methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (CID 116947302) is methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.
What is the SMILES notation for methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The canonical SMILES for methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is COC(N)c1cc2c(cc1C)OCCO2.
What is the InChIKey of methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The InChIKey is VMDPRNHMVVZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-9-10(15-4-3-14-9)6-8(7)11(12)13-2/h5-6,11H,3-4,12H2,1-2H3.
What are the key properties of methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 209.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 116947302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).