1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine

C13H20N2O2 — CID 115196418

IUPAC1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCc1cc2c(cc1N(C)CC(C)N)OCCO2
InChIInChI=1S/C13H20N2O2/c1-9-6-12-13(17-5-4-16-12)7-11(9)15(3)8-10(2)14/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyUACWXFYNTBLQSC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds3

About 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine

1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (PubChem CID 115196418) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
PubChem CID115196418
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCc1cc2c(cc1N(C)CC(C)N)OCCO2
InChIInChI=1S/C13H20N2O2/c1-9-6-12-13(17-5-4-16-12)7-11(9)15(3)8-10(2)14/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyUACWXFYNTBLQSC-UHFFFAOYSA-N
XLogP1.55
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115196459
2-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanoic acid
CID 115219345
N',2-dimethyl-N'-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 115198438
3-N-methyl-3-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2,3-triamine
CID 115119619
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
2-[[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butan-1-ol
CID 115250718
1-N-methyl-1-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]butane-1,3-diamine
CID 115199430
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115208180
3-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-methylamino]-2-methylpropanenitrile
CID 54993069

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (CID 115196418) is 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine is Cc1cc2c(cc1N(C)CC(C)N)OCCO2.
What is the InChIKey of 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The InChIKey is UACWXFYNTBLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-12-13(17-5-4-16-12)7-11(9)15(3)8-10(2)14/h6-7,10H,4-5,8,14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine has a molecular weight of 236.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine is sourced from PubChem (CID 115196418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).