2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine

C17H22N2O2 — CID 60905899

IUPAC2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCOc1c(C)cnc(COc2cccc(CCN)c2)c1C
InChIInChI=1S/C17H22N2O2/c1-12-10-19-16(13(2)17(12)20-3)11-21-15-6-4-5-14(9-15)7-8-18/h4-6,9-10H,7-8,11,18H2,1-3H3
InChIKeyNUCNOUVRHLQOLR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.79
Rot. Bonds6

About 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine

2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 60905899) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID60905899
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCOc1c(C)cnc(COc2cccc(CCN)c2)c1C
InChIInChI=1S/C17H22N2O2/c1-12-10-19-16(13(2)17(12)20-3)11-21-15-6-4-5-14(9-15)7-8-18/h4-6,9-10H,7-8,11,18H2,1-3H3
InChIKeyNUCNOUVRHLQOLR-UHFFFAOYSA-N
XLogP2.79
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 62110783
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 66353268
(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 78933376
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 115956836
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 43324923
5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 103482976
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine (CID 60905899) is 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine is COc1c(C)cnc(COc2cccc(CCN)c2)c1C.
What is the InChIKey of 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is NUCNOUVRHLQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-10-19-16(13(2)17(12)20-3)11-21-15-6-4-5-14(9-15)7-8-18/h4-6,9-10H,7-8,11,18H2,1-3H3.
What are the key properties of 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine?
2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60905899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).