1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol

C15H23NO3 — CID 54949004

IUPAC1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol
SMILESCCCC(C)N(C)CC(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-4-5-11(2)16(3)9-13(17)12-6-7-14-15(8-12)19-10-18-14/h6-8,11,13,17H,4-5,9-10H2,1-3H3
InChIKeyRILGQYGBBFWUQV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol

1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol (PubChem CID 54949004) 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-[methyl(pentan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol
PubChem CID54949004
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol
SMILESCCCC(C)N(C)CC(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-4-5-11(2)16(3)9-13(17)12-6-7-14-15(8-12)19-10-18-14/h6-8,11,13,17H,4-5,9-10H2,1-3H3
InChIKeyRILGQYGBBFWUQV-UHFFFAOYSA-N
XLogP2.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
CID 54948959
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944
1-(1,3-benzodioxol-5-yl)-3-(diethylamino)propan-1-ol
CID 13284319
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
1-(1,3-benzodioxol-5-yl)-2-(hex-1-yn-3-ylamino)ethanol
CID 106229715
1-(1,3-benzodioxol-5-yl)-2-(2-methylpropoxyamino)ethanol
CID 82722356
N'-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N-propyloxamide
CID 121132594
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
1-(1,3-benzodioxol-5-yl)-2-[bis(prop-2-enyl)amino]ethanol
CID 82216448
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanol
CID 63964682

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol (CID 54949004) is 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol is CCCC(C)N(C)CC(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol?
The InChIKey is RILGQYGBBFWUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-11(2)16(3)9-13(17)12-6-7-14-15(8-12)19-10-18-14/h6-8,11,13,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol?
1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol has a molecular weight of 265.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol is sourced from PubChem (CID 54949004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).