[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride

C17H22Cl2N2O — CID 165409354

IUPAC[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride
SMILESCc1cc(-c2cccc3c2OCC[C@H]3CN)c(C)cn1.Cl.Cl
InChIInChI=1S/C17H20N2O.2ClH/c1-11-10-19-12(2)8-16(11)15-5-3-4-14-13(9-18)6-7-20-17(14)15;;/h3-5,8,10,13H,6-7,9,18H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyFQXNLNRIBXHIEH-GXKRWWSZSA-N
MW341.28 g/mol
LogP4.03
Rot. Bonds2

About [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride

[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride (PubChem CID 165409354) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride
PubChem CID165409354
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride
SMILESCc1cc(-c2cccc3c2OCC[C@H]3CN)c(C)cn1.Cl.Cl
InChIInChI=1S/C17H20N2O.2ClH/c1-11-10-19-12(2)8-16(11)15-5-3-4-14-13(9-18)6-7-20-17(14)15;;/h3-5,8,10,13H,6-7,9,18H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyFQXNLNRIBXHIEH-GXKRWWSZSA-N
XLogP4.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride?
The IUPAC name of [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride (CID 165409354) is [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride is Cc1cc(-c2cccc3c2OCC[C@H]3CN)c(C)cn1.Cl.Cl.
What is the InChIKey of [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride?
The InChIKey is FQXNLNRIBXHIEH-GXKRWWSZSA-N. The full InChI is InChI=1S/C17H20N2O.2ClH/c1-11-10-19-12(2)8-16(11)15-5-3-4-14-13(9-18)6-7-20-17(14)15;;/h3-5,8,10,13H,6-7,9,18H2,1-2H3;2*1H/t13-;;/m0../s1.
What are the key properties of [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride?
[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 165409354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).