[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine

C15H16N2O — CID 15942465

IUPAC[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cccc(-c3cccnc3)c2O1
InChIInChI=1S/C15H16N2O/c16-9-13-7-6-11-3-1-5-14(15(11)18-13)12-4-2-8-17-10-12/h1-5,8,10,13H,6-7,9,16H2/t13-/m1/s1
InChIKeyIJSCJVSIWCHIRE-CYBMUJFWSA-N
MW240.31 g/mol
LogP2.40
Rot. Bonds2

About [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine

[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 15942465) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID15942465
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cccc(-c3cccnc3)c2O1
InChIInChI=1S/C15H16N2O/c16-9-13-7-6-11-3-1-5-14(15(11)18-13)12-4-2-8-17-10-12/h1-5,8,10,13H,6-7,9,16H2/t13-/m1/s1
InChIKeyIJSCJVSIWCHIRE-CYBMUJFWSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 15942465) is [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine is NC[C@H]1CCc2cccc(-c3cccnc3)c2O1.
What is the InChIKey of [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is IJSCJVSIWCHIRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O/c16-9-13-7-6-11-3-1-5-14(15(11)18-13)12-4-2-8-17-10-12/h1-5,8,10,13H,6-7,9,16H2/t13-/m1/s1.
What are the key properties of [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 15942465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).