2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine

C15H14Br2FN — CID 105015800

IUPAC2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
SMILESCc1ccc(Br)cc1C(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-9-2-3-11(16)8-14(9)15(19)6-10-4-12(17)7-13(18)5-10/h2-5,7-8,15H,6,19H2,1H3
InChIKeyIHIHERBOFZAKQT-UHFFFAOYSA-N
MW387.09 g/mol
LogP4.90
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine (PubChem CID 105015800) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
PubChem CID105015800
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
SMILESCc1ccc(Br)cc1C(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-9-2-3-11(16)8-14(9)15(19)6-10-4-12(17)7-13(18)5-10/h2-5,7-8,15H,6,19H2,1H3
InChIKeyIHIHERBOFZAKQT-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 65307292
2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 115533554
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine (CID 105015800) is 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine is Cc1ccc(Br)cc1C(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine?
The InChIKey is IHIHERBOFZAKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-9-2-3-11(16)8-14(9)15(19)6-10-4-12(17)7-13(18)5-10/h2-5,7-8,15H,6,19H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine has a molecular weight of 387.09 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine is sourced from PubChem (CID 105015800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).