1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

C16H20N2O — CID 112649868

IUPAC1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2ncccc2C)c(C(C)N)c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-16(14(9-11)13(3)17)19-10-15-12(2)5-4-8-18-15/h4-9,13H,10,17H2,1-3H3
InChIKeyWKNGKLUHKLGSNB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds4

About 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 112649868) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID112649868
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2ncccc2C)c(C(C)N)c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-16(14(9-11)13(3)17)19-10-15-12(2)5-4-8-18-15/h4-9,13H,10,17H2,1-3H3
InChIKeyWKNGKLUHKLGSNB-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
1-[5-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650649
(1R)-1-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 107718507
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
(1R)-1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63992926

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (CID 112649868) is 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is Cc1ccc(OCc2ncccc2C)c(C(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is WKNGKLUHKLGSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-7-16(14(9-11)13(3)17)19-10-15-12(2)5-4-8-18-15/h4-9,13H,10,17H2,1-3H3.
What are the key properties of 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112649868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).