1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine

C16H16BrClFN — CID 107998784

IUPAC1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-9-6-12(7-10(2)15(9)19)16(20-3)11-4-5-14(18)13(17)8-11/h4-8,16,20H,1-3H3
InChIKeyGYONCCSXDYIVRK-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.17
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine

1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 107998784) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID107998784
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-9-6-12(7-10(2)15(9)19)16(20-3)11-4-5-14(18)13(17)8-11/h4-8,16,20H,1-3H3
InChIKeyGYONCCSXDYIVRK-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-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81472374
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 115567213
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3,5-dichlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299004
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397275
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105261045
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine (CID 107998784) is 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(F)c(C)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is GYONCCSXDYIVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-9-6-12(7-10(2)15(9)19)16(20-3)11-4-5-14(18)13(17)8-11/h4-8,16,20H,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-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-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107998784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).