1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine

C15H23NO2 — CID 107894239

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cccc2c1OCCO2
InChIInChI=1S/C15H23NO2/c1-4-6-11(2)14(16-3)12-7-5-8-13-15(12)18-10-9-17-13/h5,7-8,11,14,16H,4,6,9-10H2,1-3H3
InChIKeyICPSKBMWEKTRGP-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine (PubChem CID 107894239) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine
PubChem CID107894239
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cccc2c1OCCO2
InChIInChI=1S/C15H23NO2/c1-4-6-11(2)14(16-3)12-7-5-8-13-15(12)18-10-9-17-13/h5,7-8,11,14,16H,4,6,9-10H2,1-3H3
InChIKeyICPSKBMWEKTRGP-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66447016
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760
N-[2,3-dihydro-1,4-benzodioxin-5-yl(furan-2-yl)methyl]ethanamine
CID 105146902
2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanenitrile
CID 83684567
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984068
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpentan-1-amine
CID 107893716
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 105155179
(3S)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(ethylamino)propan-1-ol
CID 97177429
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 177208760
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
CID 105111843
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 62503751

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine (CID 107894239) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine?
The InChIKey is ICPSKBMWEKTRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-11(2)14(16-3)12-7-5-8-13-15(12)18-10-9-17-13/h5,7-8,11,14,16H,4,6,9-10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 107894239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).