7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C16H19N3O2 — CID 43563899

IUPAC7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN(Cc1ccncc1)Cc1cc2c(cc1N)OCCO2
InChIInChI=1S/C16H19N3O2/c1-19(10-12-2-4-18-5-3-12)11-13-8-15-16(9-14(13)17)21-7-6-20-15/h2-5,8-9H,6-7,10-11,17H2,1H3
InChIKeySLJMZQLADVPMOG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds4

About 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43563899) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43563899
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN(Cc1ccncc1)Cc1cc2c(cc1N)OCCO2
InChIInChI=1S/C16H19N3O2/c1-19(10-12-2-4-18-5-3-12)11-13-8-15-16(9-14(13)17)21-7-6-20-15/h2-5,8-9H,6-7,10-11,17H2,1H3
InChIKeySLJMZQLADVPMOG-UHFFFAOYSA-N
XLogP2.07
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43563899) is 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is CN(Cc1ccncc1)Cc1cc2c(cc1N)OCCO2.
What is the InChIKey of 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is SLJMZQLADVPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(10-12-2-4-18-5-3-12)11-13-8-15-16(9-14(13)17)21-7-6-20-15/h2-5,8-9H,6-7,10-11,17H2,1H3.
What are the key properties of 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 285.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43563899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).