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

C15H23NO3 — CID 54948959

IUPAC1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
SMILESCC(C)C(C)N(C)CC(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-10(2)11(3)16(4)8-13(17)12-5-6-14-15(7-12)19-9-18-14/h5-7,10-11,13,17H,8-9H2,1-4H3
InChIKeyXNYRPYDIPGVAOJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds5

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

1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol (PubChem CID 54948959) 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(3-methylbutan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
PubChem CID54948959
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
SMILESCC(C)C(C)N(C)CC(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-10(2)11(3)16(4)8-13(17)12-5-6-14-15(7-12)19-9-18-14/h5-7,10-11,13,17H,8-9H2,1-4H3
InChIKeyXNYRPYDIPGVAOJ-UHFFFAOYSA-N
XLogP2.42
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol
CID 54949004
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
(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-(2,3-dimethylbutylamino)ethanol
CID 64597062
2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199
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
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol (CID 54948959) is 1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol is CC(C)C(C)N(C)CC(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol?
The InChIKey is XNYRPYDIPGVAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)11(3)16(4)8-13(17)12-5-6-14-15(7-12)19-9-18-14/h5-7,10-11,13,17H,8-9H2,1-4H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol?
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol has a molecular weight of 265.35 g/mol, XLogP of 2.42, 5 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(3-methylbutan-2-yl)amino]ethanol is sourced from PubChem (CID 54948959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).