[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium

C17H20NO2+ — CID 6934705

IUPAC[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium
SMILES[NH3+][C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19NO2/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h1-5,7,9,12,15H,6,8,10-11,18H2/p+1/t15-/m1/s1
InChIKeyGFLHSZDRSQBEES-OAHLLOKOSA-O
MW270.35 g/mol
LogP2.37
Rot. Bonds4

About [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium

[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium (PubChem CID 6934705) has the molecular formula C17H20NO2+ and a molecular weight of 270.35 g/mol. Its IUPAC name is [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium
PubChem CID6934705
Molecular FormulaC17H20NO2+
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium
SMILES[NH3+][C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19NO2/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h1-5,7,9,12,15H,6,8,10-11,18H2/p+1/t15-/m1/s1
InChIKeyGFLHSZDRSQBEES-OAHLLOKOSA-O
XLogP2.37
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1,3-bis(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
CID 7195788
[(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
CID 6934710
[(1R)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
CID 6934712
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropyl]-2-phenylacetamide
CID 56728627
3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 2825472
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-phenylethanesulfonamide
CID 110371439
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
CID 25273117
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
CID 171268731
(1R,2S)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
CID 171263056
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium?
The IUPAC name of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium (CID 6934705) is [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium.
What is the SMILES notation for [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium?
The canonical SMILES for [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium is [NH3+][C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium?
The InChIKey is GFLHSZDRSQBEES-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H19NO2/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h1-5,7,9,12,15H,6,8,10-11,18H2/p+1/t15-/m1/s1.
What are the key properties of [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium?
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium has a molecular weight of 270.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium is sourced from PubChem (CID 6934705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).