5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine

C17H20N2O2 — CID 72854981

IUPAC5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine
SMILESCOc1cccc2c1OCC(Cc1cnc(N)c(C)c1)C2
InChIInChI=1S/C17H20N2O2/c1-11-6-12(9-19-17(11)18)7-13-8-14-4-3-5-15(20-2)16(14)21-10-13/h3-6,9,13H,7-8,10H2,1-2H3,(H2,18,19)
InChIKeyBWHYSUWYBWGASB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds3

About 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine

5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine (PubChem CID 72854981) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine
PubChem CID72854981
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine
SMILESCOc1cccc2c1OCC(Cc1cnc(N)c(C)c1)C2
InChIInChI=1S/C17H20N2O2/c1-11-6-12(9-19-17(11)18)7-13-8-14-4-3-5-15(20-2)16(14)21-10-13/h3-6,9,13H,7-8,10H2,1-2H3,(H2,18,19)
InChIKeyBWHYSUWYBWGASB-UHFFFAOYSA-N
XLogP2.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine (CID 72854981) is 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine is COc1cccc2c1OCC(Cc1cnc(N)c(C)c1)C2.
What is the InChIKey of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine?
The InChIKey is BWHYSUWYBWGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-6-12(9-19-17(11)18)7-13-8-14-4-3-5-15(20-2)16(14)21-10-13/h3-6,9,13H,7-8,10H2,1-2H3,(H2,18,19).
What are the key properties of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine?
5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 72854981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).