1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine

C15H17BrN2O — CID 104796365

IUPAC1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc(C(C)N)c(OCc2ccc(Br)cn2)c1
InChIInChI=1S/C15H17BrN2O/c1-10-3-6-14(11(2)17)15(7-10)19-9-13-5-4-12(16)8-18-13/h3-8,11H,9,17H2,1-2H3
InChIKeyZERLGZVYWGSMIQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.75
Rot. Bonds4

About 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine

1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 104796365) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
PubChem CID104796365
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc(C(C)N)c(OCc2ccc(Br)cn2)c1
InChIInChI=1S/C15H17BrN2O/c1-10-3-6-14(11(2)17)15(7-10)19-9-13-5-4-12(16)8-18-13/h3-8,11H,9,17H2,1-2H3
InChIKeyZERLGZVYWGSMIQ-UHFFFAOYSA-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

Analyze 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
CID 113455729
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 102946545
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450
(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63649933

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine (CID 104796365) is 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine is Cc1ccc(C(C)N)c(OCc2ccc(Br)cn2)c1.
What is the InChIKey of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is ZERLGZVYWGSMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-3-6-14(11(2)17)15(7-10)19-9-13-5-4-12(16)8-18-13/h3-8,11H,9,17H2,1-2H3.
What are the key properties of 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine?
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]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 1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 104796365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).