2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol

C11H15NO3 — CID 83884323

IUPAC2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
SMILESCc1cc2c(c(C(N)CO)c1)OCOC2
InChIInChI=1S/C11H15NO3/c1-7-2-8-5-14-6-15-11(8)9(3-7)10(12)4-13/h2-3,10,13H,4-6,12H2,1H3
InChIKeyDEKODIGXYXYWBM-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.85
Rot. Bonds2

About 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol

2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol (PubChem CID 83884323) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
PubChem CID83884323
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
SMILESCc1cc2c(c(C(N)CO)c1)OCOC2
InChIInChI=1S/C11H15NO3/c1-7-2-8-5-14-6-15-11(8)9(3-7)10(12)4-13/h2-3,10,13H,4-6,12H2,1H3
InChIKeyDEKODIGXYXYWBM-UHFFFAOYSA-N
XLogP0.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117285168
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
6,8-dimethyl-4H-1,3-benzodioxine
CID 89017859
1-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanone
CID 83877982
N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83883221
2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol
CID 83886011
2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84693061
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
2-amino-2-(2-ethyl-5-methylphenyl)ethanol
CID 55283638
(2S)-2-amino-2-(2-iodo-5-methylphenyl)ethanol
CID 66515904
(2R)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 66513528

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol?
The IUPAC name of 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol (CID 83884323) is 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol is Cc1cc2c(c(C(N)CO)c1)OCOC2.
What is the InChIKey of 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol?
The InChIKey is DEKODIGXYXYWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-2-8-5-14-6-15-11(8)9(3-7)10(12)4-13/h2-3,10,13H,4-6,12H2,1H3.
What are the key properties of 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol?
2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol has a molecular weight of 209.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol is sourced from PubChem (CID 83884323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).