4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine

C15H16N2O — CID 113368109

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine
SMILESCNc1cc(Oc2ccc3c(c2)CCC3)ccn1
InChIInChI=1S/C15H16N2O/c1-16-15-10-14(7-8-17-15)18-13-6-5-11-3-2-4-12(11)9-13/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyFRKWMCAHPJHEQF-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.40
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine

4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine (PubChem CID 113368109) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine
PubChem CID113368109
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine
SMILESCNc1cc(Oc2ccc3c(c2)CCC3)ccn1
InChIInChI=1S/C15H16N2O/c1-16-15-10-14(7-8-17-15)18-13-6-5-11-3-2-4-12(11)9-13/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyFRKWMCAHPJHEQF-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine (CID 113368109) is 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine is CNc1cc(Oc2ccc3c(c2)CCC3)ccn1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine?
The InChIKey is FRKWMCAHPJHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-15-10-14(7-8-17-15)18-13-6-5-11-3-2-4-12(11)9-13/h5-10H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine?
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine is sourced from PubChem (CID 113368109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).