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

C11H14ClNO3 — CID 84704105

IUPAC2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCc1c(C(N)CO)cc(Cl)c2c1OCCO2
InChIInChI=1S/C11H14ClNO3/c1-6-7(9(13)5-14)4-8(12)11-10(6)15-2-3-16-11/h4,9,14H,2-3,5,13H2,1H3
InChIKeyZVINQWMFXKYTDY-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.41
Rot. Bonds2

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

2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (PubChem CID 84704105) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
PubChem CID84704105
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCc1c(C(N)CO)cc(Cl)c2c1OCCO2
InChIInChI=1S/C11H14ClNO3/c1-6-7(9(13)5-14)4-8(12)11-10(6)15-2-3-16-11/h4,9,14H,2-3,5,13H2,1H3
InChIKeyZVINQWMFXKYTDY-UHFFFAOYSA-N
XLogP1.41
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84693061
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
ethyl 2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117462314
3-amino-3-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)propanoic acid
CID 117427318
3-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)butanal
CID 117389912
2-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117395297
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84680593
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117358648
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
2-amino-1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 84702824
2-(8-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117428007

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The IUPAC name of 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (CID 84704105) is 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is Cc1c(C(N)CO)cc(Cl)c2c1OCCO2.
What is the InChIKey of 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The InChIKey is ZVINQWMFXKYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6-7(9(13)5-14)4-8(12)11-10(6)15-2-3-16-11/h4,9,14H,2-3,5,13H2,1H3.
What are the key properties of 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol has a molecular weight of 243.69 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is sourced from PubChem (CID 84704105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).