4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol

C15H23NO3 — CID 66089700

IUPAC4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-11(5-6-17)10-16-12(2)13-3-4-14-15(9-13)19-8-7-18-14/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3
InChIKeyDSYPGTCLYUBIDP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.13
Rot. Bonds6

About 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol

4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol (PubChem CID 66089700) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol
PubChem CID66089700
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-11(5-6-17)10-16-12(2)13-3-4-14-15(9-13)19-8-7-18-14/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3
InChIKeyDSYPGTCLYUBIDP-UHFFFAOYSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]butan-1-ol
CID 106840592
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 42938180
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81411928
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol (CID 66089700) is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol is CC(CCO)CNC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is DSYPGTCLYUBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(5-6-17)10-16-12(2)13-3-4-14-15(9-13)19-8-7-18-14/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3.
What are the key properties of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol?
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66089700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).