3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol

C17H19NO3 — CID 65189468

IUPAC3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
SMILESNCC(c1ccc2c(c1)OCCO2)C(O)c1ccccc1
InChIInChI=1S/C17H19NO3/c18-11-14(17(19)12-4-2-1-3-5-12)13-6-7-15-16(10-13)21-9-8-20-15/h1-7,10,14,17,19H,8-9,11,18H2
InChIKeyIAPGGESXYKCBDC-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol

3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol (PubChem CID 65189468) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
PubChem CID65189468
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
SMILESNCC(c1ccc2c(c1)OCCO2)C(O)c1ccccc1
InChIInChI=1S/C17H19NO3/c18-11-14(17(19)12-4-2-1-3-5-12)13-6-7-15-16(10-13)21-9-8-20-15/h1-7,10,14,17,19H,8-9,11,18H2
InChIKeyIAPGGESXYKCBDC-UHFFFAOYSA-N
XLogP2.23
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
CID 65189566
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 80525401
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
CID 25273117
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol
CID 65189565
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-3-ol
CID 65189758
3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65187604
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol
CID 158603374
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 60869534
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol (CID 65189468) is 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol is NCC(c1ccc2c(c1)OCCO2)C(O)c1ccccc1.
What is the InChIKey of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol?
The InChIKey is IAPGGESXYKCBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c18-11-14(17(19)12-4-2-1-3-5-12)13-6-7-15-16(10-13)21-9-8-20-15/h1-7,10,14,17,19H,8-9,11,18H2.
What are the key properties of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol?
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol has a molecular weight of 285.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 65189468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).