2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol

C14H19NO4 — CID 116874416

IUPAC2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol
SMILESCc1cc2c(cc1C1(C(N)CO)COC1)OCCO2
InChIInChI=1S/C14H19NO4/c1-9-4-11-12(19-3-2-18-11)5-10(9)14(7-17-8-14)13(15)6-16/h4-5,13,16H,2-3,6-8,15H2,1H3
InChIKeyOFQOCVAIVUFUGP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol

2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol (PubChem CID 116874416) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol
PubChem CID116874416
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol
SMILESCc1cc2c(cc1C1(C(N)CO)COC1)OCCO2
InChIInChI=1S/C14H19NO4/c1-9-4-11-12(19-3-2-18-11)5-10(9)14(7-17-8-14)13(15)6-16/h4-5,13,16H,2-3,6-8,15H2,1H3
InChIKeyOFQOCVAIVUFUGP-UHFFFAOYSA-N
XLogP0.35
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol with MolForge

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Related Compounds

2-amino-2-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]ethanol
CID 116874447
7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine
CID 116876077
[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]methanamine
CID 116829634
3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetane-3-thiol
CID 116872891
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol
CID 116874495
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
[3-(aminomethyl)oxetan-3-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116922745
2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870299
1-[1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanamine
CID 117371392
3-methyl-2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115137313
3-methyl-2-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]butan-1-ol
CID 115251861

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol (CID 116874416) is 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol is Cc1cc2c(cc1C1(C(N)CO)COC1)OCCO2.
What is the InChIKey of 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol?
The InChIKey is OFQOCVAIVUFUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-11-12(19-3-2-18-11)5-10(9)14(7-17-8-14)13(15)6-16/h4-5,13,16H,2-3,6-8,15H2,1H3.
What are the key properties of 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol?
2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol has a molecular weight of 265.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol is sourced from PubChem (CID 116874416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).