6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine

C15H15ClN2O2 — CID 103926145

IUPAC6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine
SMILESCc1cc(NCc2ccc3c(c2)OCCO3)cnc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-6-12(9-18-15(10)16)17-8-11-2-3-13-14(7-11)20-5-4-19-13/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyBSIDYCYPBPGPMC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.43
Rot. Bonds3

About 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine (PubChem CID 103926145) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine
PubChem CID103926145
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine
SMILESCc1cc(NCc2ccc3c(c2)OCCO3)cnc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-6-12(9-18-15(10)16)17-8-11-2-3-13-14(7-11)20-5-4-19-13/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyBSIDYCYPBPGPMC-UHFFFAOYSA-N
XLogP3.43
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyridin-3-amine
CID 103930523
6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 115925226
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methylaniline
CID 28617768
5-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridin-3-amine
CID 103930553
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline
CID 28975647
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylaniline
CID 63448939
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-methylpyridin-4-amine
CID 126766699
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-methylaniline
CID 720553
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547184

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine (CID 103926145) is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine is Cc1cc(NCc2ccc3c(c2)OCCO3)cnc1Cl.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine?
The InChIKey is BSIDYCYPBPGPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-6-12(9-18-15(10)16)17-8-11-2-3-13-14(7-11)20-5-4-19-13/h2-3,6-7,9,17H,4-5,8H2,1H3.
What are the key properties of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine?
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine has a molecular weight of 290.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 103926145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).