1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine

C15H17BrN2O — CID 115369502

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ncccc1C
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-7-18-14(10)9-13(17)12-6-5-11(16)8-15(12)19-2/h3-8,13H,9,17H2,1-2H3
InChIKeyVADSWWSLOQXPTP-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine

1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 115369502) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID115369502
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ncccc1C
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-7-18-14(10)9-13(17)12-6-5-11(16)8-15(12)19-2/h3-8,13H,9,17H2,1-2H3
InChIKeyVADSWWSLOQXPTP-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
ethyl (3R)-3-amino-3-(4-bromo-2-methoxyphenyl)propanoate;hydrochloride
CID 171204821
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 115369502) is 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine is COc1cc(Br)ccc1C(N)Cc1ncccc1C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is VADSWWSLOQXPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-4-3-7-18-14(10)9-13(17)12-6-5-11(16)8-15(12)19-2/h3-8,13H,9,17H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 115369502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).