2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine

C15H17BrN2O2 — CID 104807611

IUPAC2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-15-7-11(4-5-17)2-3-14(15)20-10-12-6-13(16)9-18-8-12/h2-3,6-9H,4-5,10,17H2,1H3
InChIKeyDYUZZIKWWOFTQY-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.93
Rot. Bonds6

About 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine

2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 104807611) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID104807611
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-15-7-11(4-5-17)2-3-14(15)20-10-12-6-13(16)9-18-8-12/h2-3,6-9H,4-5,10,17H2,1H3
InChIKeyDYUZZIKWWOFTQY-UHFFFAOYSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol
CID 104798690
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
2-amino-5-[(5-bromo-3-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104800203
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine
CID 104795924
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine (CID 104807611) is 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine is COc1cc(CCN)ccc1OCc1cncc(Br)c1.
What is the InChIKey of 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is DYUZZIKWWOFTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-15-7-11(4-5-17)2-3-14(15)20-10-12-6-13(16)9-18-8-12/h2-3,6-9H,4-5,10,17H2,1H3.
What are the key properties of 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine?
2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 337.22 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 104807611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).