2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine

C15H15BrFNO — CID 43561233

IUPAC2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H15BrFNO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3
InChIKeyLAZGTEKRAXCHCQ-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine

2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 43561233) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
PubChem CID43561233
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H15BrFNO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3
InChIKeyLAZGTEKRAXCHCQ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 61078831
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (CID 43561233) is 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is LAZGTEKRAXCHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43561233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).