(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

C15H17BrN2O — CID 79268203

IUPAC(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2ccc(Br)cc2[C@@H](C)N)n1
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-5-13(18-10)9-19-15-7-6-12(16)8-14(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyKHASNGMWOXCCEN-LLVKDONJSA-N
MW321.22 g/mol
LogP3.75
Rot. Bonds4

About (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 79268203) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID79268203
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2ccc(Br)cc2[C@@H](C)N)n1
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-5-13(18-10)9-19-15-7-6-12(16)8-14(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyKHASNGMWOXCCEN-LLVKDONJSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992927
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
1-[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 62370180
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 63986899
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
(1R)-1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63992926
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (CID 79268203) is (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is Cc1cccc(COc2ccc(Br)cc2[C@@H](C)N)n1.
What is the InChIKey of (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is KHASNGMWOXCCEN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-4-3-5-13(18-10)9-19-15-7-6-12(16)8-14(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79268203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).