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

C17H20N2O2 — CID 66447016

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCNC(c1cccc2c1OCCO2)C(C)c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-12(14-7-3-4-9-19-14)16(18-2)13-6-5-8-15-17(13)21-11-10-20-15/h3-9,12,16,18H,10-11H2,1-2H3
InChIKeyFSOKLFHFHSTQJP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds4

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 66447016) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine
PubChem CID66447016
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCNC(c1cccc2c1OCCO2)C(C)c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-12(14-7-3-4-9-19-14)16(18-2)13-6-5-8-15-17(13)21-11-10-20-15/h3-9,12,16,18H,10-11H2,1-2H3
InChIKeyFSOKLFHFHSTQJP-UHFFFAOYSA-N
XLogP2.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-pyridin-2-ylpropan-1-amine
CID 66447790
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine
CID 107894239
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66448579
2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanenitrile
CID 83684567
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 102883519
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 104770144
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447218
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446447
N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine (CID 66447016) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine is CNC(c1cccc2c1OCCO2)C(C)c1ccccn1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is FSOKLFHFHSTQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(14-7-3-4-9-19-14)16(18-2)13-6-5-8-15-17(13)21-11-10-20-15/h3-9,12,16,18H,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 2.92, 4 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)-N-methyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66447016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).