N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine

C13H20N2O2 — CID 103527612

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine
SMILESCOc1cccc(CNC2(C)CCCOC2)n1
InChIInChI=1S/C13H20N2O2/c1-13(7-4-8-17-10-13)14-9-11-5-3-6-12(15-11)16-2/h3,5-6,14H,4,7-10H2,1-2H3
InChIKeyGDAAJSGEORNMQF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds4

About N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine

N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine (PubChem CID 103527612) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine
PubChem CID103527612
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine
SMILESCOc1cccc(CNC2(C)CCCOC2)n1
InChIInChI=1S/C13H20N2O2/c1-13(7-4-8-17-10-13)14-9-11-5-3-6-12(15-11)16-2/h3,5-6,14H,4,7-10H2,1-2H3
InChIKeyGDAAJSGEORNMQF-UHFFFAOYSA-N
XLogP1.75
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-3-((S)-1-(6-methoxy-2-methyl-3-pyridyloxy)-3-methylbutyl)-pyrrolidine
CID 59536635
[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73347369
6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73348887
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
CID 73356510
2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 134143337
(2R)-3-methyl-2-[(6-phenylmethoxy-2-pyridinyl)methylamino]butan-1-ol
CID 68312434
N-[(6-methoxy-2-pyridinyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325487
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 91970493
6-Methoxy-alpha-methyl-2-pyridinemethanamine
CID 59478634
(6-Methoxypyridin-2-yl)methanamine
CID 13882973
alpha-Cyclopropyl-6-methoxy-2-pyridinemethanamine
CID 22398654

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine (CID 103527612) is N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine is COc1cccc(CNC2(C)CCCOC2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine?
The InChIKey is GDAAJSGEORNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(7-4-8-17-10-13)14-9-11-5-3-6-12(15-11)16-2/h3,5-6,14H,4,7-10H2,1-2H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine has a molecular weight of 236.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 103527612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).