1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol

C15H23NO3 — CID 64597062

IUPAC1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol
SMILESCC(C)C(C)CNCC(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-10(2)11(3)7-16-8-13(17)12-4-5-14-15(6-12)19-9-18-14/h4-6,10-11,13,16-17H,7-9H2,1-3H3
InChIKeyDVKXOEGDUOESBP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol

1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol (PubChem CID 64597062) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol
PubChem CID64597062
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol
SMILESCC(C)C(C)CNCC(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-10(2)11(3)7-16-8-13(17)12-4-5-14-15(6-12)19-9-18-14/h4-6,10-11,13,16-17H,7-9H2,1-3H3
InChIKeyDVKXOEGDUOESBP-UHFFFAOYSA-N
XLogP2.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115627491
1-(1,3-benzodioxol-5-yl)-2-(2-methylpropoxyamino)ethanol
CID 82722356
1-(1,3-benzodioxol-5-yl)-2-(cyclobutylmethylamino)ethanol
CID 60901212
1-(1,3-benzodioxol-5-yl)-2-(4-methoxybutylamino)ethanol
CID 60970196
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(ethylamino)ethanol
CID 62775279
3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]butan-1-ol
CID 83176928
1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethanol
CID 47052990
(1R)-1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethanol
CID 94174339
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152410
6-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851558
1-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propylamino]ethanol
CID 60898747
1-(1,3-benzodioxol-5-yl)-2-(oxan-4-ylmethylamino)ethanol
CID 63727696

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol (CID 64597062) is 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol is CC(C)C(C)CNCC(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol?
The InChIKey is DVKXOEGDUOESBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)11(3)7-16-8-13(17)12-4-5-14-15(6-12)19-9-18-14/h4-6,10-11,13,16-17H,7-9H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol?
1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol has a molecular weight of 265.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol is sourced from PubChem (CID 64597062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).