1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol

C18H19F2NO3 — CID 110897292

IUPAC1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
SMILESCN(Cc1ccc2c(c1)OCCO2)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO3/c1-21(11-16(22)14-9-13(19)3-4-15(14)20)10-12-2-5-17-18(8-12)24-7-6-23-17/h2-5,8-9,16,22H,6-7,10-11H2,1H3
InChIKeyIFUANHUOVLARRS-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.90
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol

1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol (PubChem CID 110897292) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
PubChem CID110897292
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
SMILESCN(Cc1ccc2c(c1)OCCO2)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO3/c1-21(11-16(22)14-9-13(19)3-4-15(14)20)10-12-2-5-17-18(8-12)24-7-6-23-17/h2-5,8-9,16,22H,6-7,10-11H2,1H3
InChIKeyIFUANHUOVLARRS-UHFFFAOYSA-N
XLogP2.90
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202644
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
CID 8771115
1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908139
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86925789
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
6-[bromo-(2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61097695
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 110897729
1-benzhydryloxy-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propan-2-ol
CID 42909807

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol (CID 110897292) is 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol is CN(Cc1ccc2c(c1)OCCO2)CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol?
The InChIKey is IFUANHUOVLARRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-21(11-16(22)14-9-13(19)3-4-15(14)20)10-12-2-5-17-18(8-12)24-7-6-23-17/h2-5,8-9,16,22H,6-7,10-11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol?
1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol has a molecular weight of 335.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol is sourced from PubChem (CID 110897292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).