[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride

C9H14Cl2N2O — CID 165402682

IUPAC[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
SMILESC[C@H]1Oc2cccnc2[C@H]1CN.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-6-7(5-10)9-8(12-6)3-2-4-11-9;;/h2-4,6-7H,5,10H2,1H3;2*1H/t6-,7+;;/m1../s1
InChIKeyRBJDUXJPLCLNRS-VJBFUYBPSA-N
MW237.13 g/mol
LogP1.75
Rot. Bonds1

About [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride

[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride (PubChem CID 165402682) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
PubChem CID165402682
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
SMILESC[C@H]1Oc2cccnc2[C@H]1CN.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-6-7(5-10)9-8(12-6)3-2-4-11-9;;/h2-4,6-7H,5,10H2,1H3;2*1H/t6-,7+;;/m1../s1
InChIKeyRBJDUXJPLCLNRS-VJBFUYBPSA-N
XLogP1.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride (CID 165402682) is [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride is C[C@H]1Oc2cccnc2[C@H]1CN.Cl.Cl.
What is the InChIKey of [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride?
The InChIKey is RBJDUXJPLCLNRS-VJBFUYBPSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c1-6-7(5-10)9-8(12-6)3-2-4-11-9;;/h2-4,6-7H,5,10H2,1H3;2*1H/t6-,7+;;/m1../s1.
What are the key properties of [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride?
[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 165402682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).