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

C15H17BrN2O2 — CID 63992927

IUPAC(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc(Br)cc2[C@@H](C)N)n1
InChIInChI=1S/C15H17BrN2O2/c1-10(17)13-8-11(16)6-7-14(13)20-9-12-4-3-5-15(18-12)19-2/h3-8,10H,9,17H2,1-2H3/t10-/m1/s1
InChIKeyDUDWBAHTAZHODK-SNVBAGLBSA-N
MW337.22 g/mol
LogP3.45
Rot. Bonds5

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

(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 63992927) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID63992927
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc(Br)cc2[C@@H](C)N)n1
InChIInChI=1S/C15H17BrN2O2/c1-10(17)13-8-11(16)6-7-14(13)20-9-12-4-3-5-15(18-12)19-2/h3-8,10H,9,17H2,1-2H3/t10-/m1/s1
InChIKeyDUDWBAHTAZHODK-SNVBAGLBSA-N
XLogP3.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 63986899
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
(1R)-1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63992926
1-[5-chloro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992738
2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
CID 63986285
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
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-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63985125
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine (CID 63992927) is (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine is COc1cccc(COc2ccc(Br)cc2[C@@H](C)N)n1.
What is the InChIKey of (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is DUDWBAHTAZHODK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(17)13-8-11(16)6-7-14(13)20-9-12-4-3-5-15(18-12)19-2/h3-8,10H,9,17H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 337.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63992927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).