2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine

C15H14BrClFN — CID 81045980

IUPAC2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cc2)c(Cl)cc1F
InChIInChI=1S/C15H14BrClFN/c1-9-6-12(13(17)8-14(9)18)15(19)7-10-2-4-11(16)5-3-10/h2-6,8,15H,7,19H2,1H3
InChIKeyMIFUBVWSTXAWOT-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.79
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine

2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine (PubChem CID 81045980) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
PubChem CID81045980
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cc2)c(Cl)cc1F
InChIInChI=1S/C15H14BrClFN/c1-9-6-12(13(17)8-14(9)18)15(19)7-10-2-4-11(16)5-3-10/h2-6,8,15H,7,19H2,1H3
InChIKeyMIFUBVWSTXAWOT-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

2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
CID 79730434
1-(4-bromo-2-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043078
1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
CID 82772910
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050980
2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine (CID 81045980) is 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine is Cc1cc(C(N)Cc2ccc(Br)cc2)c(Cl)cc1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine?
The InChIKey is MIFUBVWSTXAWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-6-12(13(17)8-14(9)18)15(19)7-10-2-4-11(16)5-3-10/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine?
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-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 2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 81045980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).