N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine

C15H23NO2 — CID 82527404

IUPACN-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCc1cc2c(cc1C)OC(CNCC(C)C)CO2
InChIInChI=1S/C15H23NO2/c1-10(2)7-16-8-13-9-17-14-5-11(3)12(4)6-15(14)18-13/h5-6,10,13,16H,7-9H2,1-4H3
InChIKeyCIXXSUAFJOVMCN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.69
Rot. Bonds4

About N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine

N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82527404) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID82527404
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCc1cc2c(cc1C)OC(CNCC(C)C)CO2
InChIInChI=1S/C15H23NO2/c1-10(2)7-16-8-13-9-17-14-5-11(3)12(4)6-15(14)18-13/h5-6,10,13,16H,7-9H2,1-4H3
InChIKeyCIXXSUAFJOVMCN-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 82527392
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,2-diamine
CID 83960709
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 113405291
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(2-methylpropyl)acetamide
CID 29140761
N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine;hydrochloride
CID 47009023
1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol
CID 3068438
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-methylphenyl)methyl]methanamine
CID 43182095
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydroxylamine
CID 88501320
2-ethyl-7-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine
CID 160872300
(2R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methylheptan-2-amine
CID 125480047
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 66361453
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine (CID 82527404) is N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine is Cc1cc2c(cc1C)OC(CNCC(C)C)CO2.
What is the InChIKey of N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is CIXXSUAFJOVMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)7-16-8-13-9-17-14-5-11(3)12(4)6-15(14)18-13/h5-6,10,13,16H,7-9H2,1-4H3.
What are the key properties of N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine?
N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82527404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).