1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine

C16H18N2O2 — CID 66447790

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine
SMILESCC(c1ccccn1)C(N)c1cccc2c1OCCO2
InChIInChI=1S/C16H18N2O2/c1-11(13-6-2-3-8-18-13)15(17)12-5-4-7-14-16(12)20-10-9-19-14/h2-8,11,15H,9-10,17H2,1H3
InChIKeyJTHIQAMVHVAKBT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine (PubChem CID 66447790) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine
PubChem CID66447790
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine
SMILESCC(c1ccccn1)C(N)c1cccc2c1OCCO2
InChIInChI=1S/C16H18N2O2/c1-11(13-6-2-3-8-18-13)15(17)12-5-4-7-14-16(12)20-10-9-19-14/h2-8,11,15H,9-10,17H2,1H3
InChIKeyJTHIQAMVHVAKBT-UHFFFAOYSA-N
XLogP2.66
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66447016
1-(2-iodophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66448363
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
1-(4-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446811
2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanenitrile
CID 83684567
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine (CID 66447790) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine is CC(c1ccccn1)C(N)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine?
The InChIKey is JTHIQAMVHVAKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(13-6-2-3-8-18-13)15(17)12-5-4-7-14-16(12)20-10-9-19-14/h2-8,11,15H,9-10,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine has a molecular weight of 270.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66447790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).