1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine

C15H14BrClFN — CID 105374267

IUPAC1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-9-2-4-12(18)6-11(9)8-15(19)10-3-5-14(17)13(16)7-10/h2-7,15H,8,19H2,1H3
InChIKeyQGSIZHFGRSZDOV-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.79
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine

1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105374267) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105374267
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-9-2-4-12(18)6-11(9)8-15(19)10-3-5-14(17)13(16)7-10/h2-7,15H,8,19H2,1H3
InChIKeyQGSIZHFGRSZDOV-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838
1-(2,6-dichlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376936
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115843147

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105374267) is 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is QGSIZHFGRSZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-2-4-12(18)6-11(9)8-15(19)10-3-5-14(17)13(16)7-10/h2-7,15H,8,19H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105374267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).