6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine

C14H21NO4 — CID 112587056

IUPAC6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(C)(C)OCCOc1cc2c(cc1N)OCCO2
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-7-6-16-11-9-13-12(8-10(11)15)17-4-5-18-13/h8-9H,4-7,15H2,1-3H3
InChIKeyHTAGLYWHRYLARX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.23
Rot. Bonds4

About 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 112587056) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID112587056
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(C)(C)OCCOc1cc2c(cc1N)OCCO2
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-7-6-16-11-9-13-12(8-10(11)15)17-4-5-18-13/h8-9H,4-7,15H2,1-3H3
InChIKeyHTAGLYWHRYLARX-UHFFFAOYSA-N
XLogP2.23
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43247834
6-(4,4,4-trifluorobutoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 82789711
2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine
CID 115943280
6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 103400876
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66322144
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 65126828
2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587870
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096
methyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 112588482
2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol
CID 126515156

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine (CID 112587056) is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine is CC(C)(C)OCCOc1cc2c(cc1N)OCCO2.
What is the InChIKey of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is HTAGLYWHRYLARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-7-6-16-11-9-13-12(8-10(11)15)17-4-5-18-13/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 267.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 112587056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).