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

C15H16N2O2 — CID 105141089

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O2/c1-10-12(3-2-6-17-10)15(16)11-4-5-13-14(9-11)19-8-7-18-13/h2-6,9,15H,7-8,16H2,1H3
InChIKeyRMCOYCNWLMEVFK-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.21
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine (PubChem CID 105141089) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
PubChem CID105141089
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O2/c1-10-12(3-2-6-17-10)15(16)11-4-5-13-14(9-11)19-8-7-18-13/h2-6,9,15H,7-8,16H2,1H3
InChIKeyRMCOYCNWLMEVFK-UHFFFAOYSA-N
XLogP2.21
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methanol
CID 105094321
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105302915
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
CID 82730296
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
CID 43186674
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,6-dimethyl-3-pyridinyl)methanamine
CID 115604705
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
CID 43384340
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43629713
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methyl-2-pyridinyl)methanamine
CID 55221576
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine (CID 105141089) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine is Cc1ncccc1C(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine?
The InChIKey is RMCOYCNWLMEVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-12(3-2-6-17-10)15(16)11-4-5-13-14(9-11)19-8-7-18-13/h2-6,9,15H,7-8,16H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine has a molecular weight of 256.30 g/mol, XLogP of 2.21, 2 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-(2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105141089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).