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

C16H18N2O3 — CID 80525401

IUPAC3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O3/c17-10-13(11-3-5-18-6-4-11)16(19)12-1-2-14-15(9-12)21-8-7-20-14/h1-6,9,13,16,19H,7-8,10,17H2
InChIKeyCNPRBSPHDSVJKP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.63
Rot. Bonds4

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

3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 80525401) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
PubChem CID80525401
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O3/c17-10-13(11-3-5-18-6-4-11)16(19)12-1-2-14-15(9-12)21-8-7-20-14/h1-6,9,13,16,19H,7-8,10,17H2
InChIKeyCNPRBSPHDSVJKP-UHFFFAOYSA-N
XLogP1.63
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 66461480
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
CID 65189566
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol
CID 65189565
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 60869534
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-3-ol
CID 65189758
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,2-diol
CID 171893991
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol (CID 80525401) is 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol is NCC(c1ccncc1)C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is CNPRBSPHDSVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-10-13(11-3-5-18-6-4-11)16(19)12-1-2-14-15(9-12)21-8-7-20-14/h1-6,9,13,16,19H,7-8,10,17H2.
What are the key properties of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol?
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 286.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 80525401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).