1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine

C16H21N3O2 — CID 105176174

IUPAC1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCNC(c1cncc(OC(C)C)c1)c1cccnc1OC
InChIInChI=1S/C16H21N3O2/c1-11(2)21-13-8-12(9-18-10-13)15(17-3)14-6-5-7-19-16(14)20-4/h5-11,15,17H,1-4H3
InChIKeyRMHYYOKUNSNQOJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds6

About 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine

1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105176174) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105176174
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCNC(c1cncc(OC(C)C)c1)c1cccnc1OC
InChIInChI=1S/C16H21N3O2/c1-11(2)21-13-8-12(9-18-10-13)15(17-3)14-6-5-7-19-16(14)20-4/h5-11,15,17H,1-4H3
InChIKeyRMHYYOKUNSNQOJ-UHFFFAOYSA-N
XLogP2.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 105118973
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027406
1-(3,5-difluorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142067
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 106692898
1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142640
[(3-bromo-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105268181
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
[(2,3-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330458
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094747
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176122

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105176174) is 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine is CNC(c1cncc(OC(C)C)c1)c1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is RMHYYOKUNSNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)21-13-8-12(9-18-10-13)15(17-3)14-6-5-7-19-16(14)20-4/h5-11,15,17H,1-4H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105176174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).