1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine

C16H16BrClFN — CID 81045205

IUPAC1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1C)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H16BrClFN/c1-9-4-5-11(17)7-12(9)16(20-3)13-6-10(2)15(19)8-14(13)18/h4-8,16,20H,1-3H3
InChIKeyOTSPVLAAUFPENZ-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.17
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine

1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 81045205) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID81045205
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1C)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H16BrClFN/c1-9-4-5-11(17)7-12(9)16(20-3)13-6-10(2)15(19)8-14(13)18/h4-8,16,20H,1-3H3
InChIKeyOTSPVLAAUFPENZ-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725078
N-[(5-bromo-2-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 81049108
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050980
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302141
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine (CID 81045205) is 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(Br)ccc1C)c1cc(C)c(F)cc1Cl.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is OTSPVLAAUFPENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-9-4-5-11(17)7-12(9)16(20-3)13-6-10(2)15(19)8-14(13)18/h4-8,16,20H,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81045205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).