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

C11H15NO3 — CID 82492557

IUPAC2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
SMILESCc1cc2c(cc1NCCO)OCCO2
InChIInChI=1S/C11H15NO3/c1-8-6-10-11(15-5-4-14-10)7-9(8)12-2-3-13/h6-7,12-13H,2-5H2,1H3
InChIKeyICMMELQYLCTWHX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.17
Rot. Bonds3

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

2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol (PubChem CID 82492557) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
PubChem CID82492557
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
SMILESCc1cc2c(cc1NCCO)OCCO2
InChIInChI=1S/C11H15NO3/c1-8-6-10-11(15-5-4-14-10)7-9(8)12-2-3-13/h6-7,12-13H,2-5H2,1H3
InChIKeyICMMELQYLCTWHX-UHFFFAOYSA-N
XLogP1.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115217387
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butanoic acid
CID 115218455
2-methyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propan-2-ol
CID 115136774
[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
CID 115243248
3-methyl-2-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]butan-1-ol
CID 115251861
2-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115222020
3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propane-1-thiol
CID 115224661
3-methyl-2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115137313
7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115244526
2,2-dimethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110777998
7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115237864
2-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 115202335

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol?
The IUPAC name of 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol (CID 82492557) is 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol?
The canonical SMILES for 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol is Cc1cc2c(cc1NCCO)OCCO2.
What is the InChIKey of 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol?
The InChIKey is ICMMELQYLCTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-6-10-11(15-5-4-14-10)7-9(8)12-2-3-13/h6-7,12-13H,2-5H2,1H3.
What are the key properties of 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol?
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol has a molecular weight of 209.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol is sourced from PubChem (CID 82492557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).