1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol

C19H21F2NO3 — CID 110921568

IUPAC1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol
SMILESCC(C)(NCC(O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21F2NO3/c1-19(2,12-3-6-17-18(9-12)25-8-7-24-17)22-11-16(23)14-5-4-13(20)10-15(14)21/h3-6,9-10,16,22-23H,7-8,11H2,1-2H3
InChIKeyQTAFNUMKIWYUJN-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.29
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol

1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol (PubChem CID 110921568) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol
PubChem CID110921568
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol
SMILESCC(C)(NCC(O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21F2NO3/c1-19(2,12-3-6-17-18(9-12)25-8-7-24-17)22-11-16(23)14-5-4-13(20)10-15(14)21/h3-6,9-10,16,22-23H,7-8,11H2,1-2H3
InChIKeyQTAFNUMKIWYUJN-UHFFFAOYSA-N
XLogP3.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol with MolForge

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Related Compounds

2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
(1R)-1-(2,4-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)ethanol
CID 95299073
2-(1,3-benzodioxol-5-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 60901510
1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
CID 110897292
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-3-ylamino)ethanol
CID 103746683
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)propan-2-ol
CID 114832961
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
[(2,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105216684
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoroanilino)ethanol
CID 60897392
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol (CID 110921568) is 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol is CC(C)(NCC(O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol?
The InChIKey is QTAFNUMKIWYUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-19(2,12-3-6-17-18(9-12)25-8-7-24-17)22-11-16(23)14-5-4-13(20)10-15(14)21/h3-6,9-10,16,22-23H,7-8,11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol?
1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol has a molecular weight of 349.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 110921568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).