2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine

C15H15BrFN — CID 55026181

IUPAC2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H15BrFN/c1-10-8-12(4-7-14(10)17)15(18)9-11-2-5-13(16)6-3-11/h2-8,15H,9,18H2,1H3
InChIKeyUIGCOVWMZKLSAF-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.14
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine

2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine (PubChem CID 55026181) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
PubChem CID55026181
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H15BrFN/c1-10-8-12(4-7-14(10)17)15(18)9-11-2-5-13(16)6-3-11/h2-8,15H,9,18H2,1H3
InChIKeyUIGCOVWMZKLSAF-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844346

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine (CID 55026181) is 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine is Cc1cc(C(N)Cc2ccc(Br)cc2)ccc1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine?
The InChIKey is UIGCOVWMZKLSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-8-12(4-7-14(10)17)15(18)9-11-2-5-13(16)6-3-11/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine?
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 55026181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).