1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride

C10H18Cl2N2O — CID 53433546

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(C)c(OC)c1C.Cl.Cl
InChIInChI=1S/C10H16N2O.2ClH/c1-7-5-12-9(6-11-3)8(2)10(7)13-4;;/h5,11H,6H2,1-4H3;2*1H
InChIKeyFRGURPFPURLDNK-UHFFFAOYSA-N
MW253.17 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride (PubChem CID 53433546) has the molecular formula C10H18Cl2N2O and a molecular weight of 253.17 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride
PubChem CID53433546
Molecular FormulaC10H18Cl2N2O
Molecular Weight253.17 g/mol
Exact Mass252.08
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(C)c(OC)c1C.Cl.Cl
InChIInChI=1S/C10H16N2O.2ClH/c1-7-5-12-9(6-11-3)8(2)10(7)13-4;;/h5,11H,6H2,1-4H3;2*1H
InChIKeyFRGURPFPURLDNK-UHFFFAOYSA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride (CID 53433546) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride is CNCc1ncc(C)c(OC)c1C.Cl.Cl.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride?
The InChIKey is FRGURPFPURLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.2ClH/c1-7-5-12-9(6-11-3)8(2)10(7)13-4;;/h5,11H,6H2,1-4H3;2*1H.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride has a molecular weight of 253.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 53433546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).