2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine

C15H15BrFN — CID 54971855

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H15BrFN/c1-10-2-5-12(6-3-10)15(18)9-11-4-7-14(17)13(16)8-11/h2-8,15H,9,18H2,1H3
InChIKeyXVSINQYPOBGVFI-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.14
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine

2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine (PubChem CID 54971855) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
PubChem CID54971855
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H15BrFN/c1-10-2-5-12(6-3-10)15(18)9-11-4-7-14(17)13(16)8-11/h2-8,15H,9,18H2,1H3
InChIKeyXVSINQYPOBGVFI-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

2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 115818512
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 63416624
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279482
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine (CID 54971855) is 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is XVSINQYPOBGVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-2-5-12(6-3-10)15(18)9-11-4-7-14(17)13(16)8-11/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine?
2-(3-bromo-4-fluorophenyl)-1-(4-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-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 54971855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).