1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine

C17H22N2O2 — CID 102878176

IUPAC1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCc1cncc(C)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-15(10-19-9-12)11-21-17-8-14(7-13(2)18)4-5-16(17)20-3/h4-6,8-10,13H,7,11,18H2,1-3H3
InChIKeyCXKURIGLLBHMPM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds6

About 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine

1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine (PubChem CID 102878176) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
PubChem CID102878176
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCc1cncc(C)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-15(10-19-9-12)11-21-17-8-14(7-13(2)18)4-5-16(17)20-3/h4-6,8-10,13H,7,11,18H2,1-3H3
InChIKeyCXKURIGLLBHMPM-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 60908029
1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
1-[3-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878226
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171
[3,5-dimethoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methanol
CID 102881591
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
CID 21148418
6-methyl-3-[(5-methyl-3-pyridinyl)methoxy]pyridin-2-amine
CID 102880225
1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728370

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine (CID 102878176) is 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine is COc1ccc(CC(C)N)cc1OCc1cncc(C)c1.
What is the InChIKey of 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The InChIKey is CXKURIGLLBHMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-15(10-19-9-12)11-21-17-8-14(7-13(2)18)4-5-16(17)20-3/h4-6,8-10,13H,7,11,18H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 102878176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).