2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine

C14H21NO2 — CID 79298713

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-9(2)14(15)10(3)11-4-5-12-13(8-11)17-7-6-16-12/h4-5,8-10,14H,6-7,15H2,1-3H3
InChIKeyIYGSYDZVAYYSCG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine (PubChem CID 79298713) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
PubChem CID79298713
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-9(2)14(15)10(3)11-4-5-12-13(8-11)17-7-6-16-12/h4-5,8-10,14H,6-7,15H2,1-3H3
InChIKeyIYGSYDZVAYYSCG-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66288795
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
6-(4-bromopentan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 64720151
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66290653
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine (CID 79298713) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine is CC(C)C(N)C(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine?
The InChIKey is IYGSYDZVAYYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)14(15)10(3)11-4-5-12-13(8-11)17-7-6-16-12/h4-5,8-10,14H,6-7,15H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine is sourced from PubChem (CID 79298713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).