2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol

C12H17NO3 — CID 117319704

IUPAC2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
SMILESCc1cc(C(N)CO)c2c(c1C)OCCO2
InChIInChI=1S/C12H17NO3/c1-7-5-9(10(13)6-14)12-11(8(7)2)15-3-4-16-12/h5,10,14H,3-4,6,13H2,1-2H3
InChIKeyQYDPSEPKVKOYKR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol

2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol (PubChem CID 117319704) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
PubChem CID117319704
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
SMILESCc1cc(C(N)CO)c2c(c1C)OCCO2
InChIInChI=1S/C12H17NO3/c1-7-5-9(10(13)6-14)12-11(8(7)2)15-3-4-16-12/h5,10,14H,3-4,6,13H2,1-2H3
InChIKeyQYDPSEPKVKOYKR-UHFFFAOYSA-N
XLogP1.07
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84704105
3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
CID 117342903
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117284629
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
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-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117464755
2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117285168
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The IUPAC name of 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol (CID 117319704) is 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol is Cc1cc(C(N)CO)c2c(c1C)OCCO2.
What is the InChIKey of 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The InChIKey is QYDPSEPKVKOYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-5-9(10(13)6-14)12-11(8(7)2)15-3-4-16-12/h5,10,14H,3-4,6,13H2,1-2H3.
What are the key properties of 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol has a molecular weight of 223.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol is sourced from PubChem (CID 117319704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).