2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine

C16H18N2O2 — CID 82730296

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O2/c1-2-11-4-3-7-18-16(11)15(17)12-5-6-13-14(10-12)20-9-8-19-13/h3-7,10,15H,2,8-9,17H2,1H3
InChIKeyZESRSUPCGBLSRY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.46
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine

2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine (PubChem CID 82730296) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
PubChem CID82730296
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O2/c1-2-11-4-3-7-18-16(11)15(17)12-5-6-13-14(10-12)20-9-8-19-13/h3-7,10,15H,2,8-9,17H2,1H3
InChIKeyZESRSUPCGBLSRY-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
CID 105141089
N-[(3-chloro-2-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 103444524
(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729975
(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 116506425
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 105141062
(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 82730762
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methyl-2-pyridinyl)methanamine
CID 55221576
(1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 124694431
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine
CID 43364260
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-2-yl)methyl]ethanamine
CID 62789488

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine (CID 82730296) is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine is CCc1cccnc1C(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine?
The InChIKey is ZESRSUPCGBLSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-11-4-3-7-18-16(11)15(17)12-5-6-13-14(10-12)20-9-8-19-13/h3-7,10,15H,2,8-9,17H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine has a molecular weight of 270.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine is sourced from PubChem (CID 82730296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).