2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine

C16H17BrFN — CID 115818512

IUPAC2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H17BrFN/c1-10-3-4-11(2)13(7-10)16(19)9-12-5-6-15(18)14(17)8-12/h3-8,16H,9,19H2,1-2H3
InChIKeyCUINCMGUZCAKSE-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.45
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine

2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 115818512) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
PubChem CID115818512
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H17BrFN/c1-10-3-4-11(2)13(7-10)16(19)9-12-5-6-15(18)14(17)8-12/h3-8,16H,9,19H2,1-2H3
InChIKeyCUINCMGUZCAKSE-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279482
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81473177
(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936734
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine (CID 115818512) is 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)Cc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is CUINCMGUZCAKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-3-4-11(2)13(7-10)16(19)9-12-5-6-15(18)14(17)8-12/h3-8,16H,9,19H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 115818512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).