(4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine

C8H14N2O — CID 123861223

IUPAC(4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine
SMILESCOC1=CC(C)=NCC1CN
InChIInChI=1S/C8H14N2O/c1-6-3-8(11-2)7(4-9)5-10-6/h3,7H,4-5,9H2,1-2H3
InChIKeyXUNQGPPLWPHMIS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.57
Rot. Bonds2

About (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine

(4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine (PubChem CID 123861223) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine
PubChem CID123861223
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine
SMILESCOC1=CC(C)=NCC1CN
InChIInChI=1S/C8H14N2O/c1-6-3-8(11-2)7(4-9)5-10-6/h3,7H,4-5,9H2,1-2H3
InChIKeyXUNQGPPLWPHMIS-UHFFFAOYSA-N
XLogP0.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine?
The IUPAC name of (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine (CID 123861223) is (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine.
What is the SMILES notation for (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine?
The canonical SMILES for (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine is COC1=CC(C)=NCC1CN.
What is the InChIKey of (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine?
The InChIKey is XUNQGPPLWPHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-3-8(11-2)7(4-9)5-10-6/h3,7H,4-5,9H2,1-2H3.
What are the key properties of (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine?
(4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine has a molecular weight of 154.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-methyl-2,3-dihydropyridin-3-yl)methanamine is sourced from PubChem (CID 123861223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).