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

C17H19BrClN — CID 115483839

IUPAC1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1C)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H19BrClN/c1-10-8-15(16(19)9-11(10)2)17(20-4)14-6-5-13(18)7-12(14)3/h5-9,17,20H,1-4H3
InChIKeyXPSXHDMRBVSQGS-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.34
Rot. Bonds3

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

1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 115483839) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
PubChem CID115483839
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1C)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H19BrClN/c1-10-8-15(16(19)9-11(10)2)17(20-4)14-6-5-13(18)7-12(14)3/h5-9,17,20H,1-4H3
InChIKeyXPSXHDMRBVSQGS-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319689
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725078
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine
CID 81045205
1-(4-bromo-2-methylphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 115827845
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041639
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine (CID 115483839) is 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1C)c1cc(C)c(C)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is XPSXHDMRBVSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-10-8-15(16(19)9-11(10)2)17(20-4)14-6-5-13(18)7-12(14)3/h5-9,17,20H,1-4H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine?
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115483839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).