1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine

C16H17BrClN — CID 107560807

IUPAC1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1ccc(Br)cc1C
InChIInChI=1S/C16H17BrClN/c1-10-4-5-12(9-15(10)18)16(19-3)14-7-6-13(17)8-11(14)2/h4-9,16,19H,1-3H3
InChIKeyLQUROCZEVMKEMT-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.03
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine

1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107560807) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
PubChem CID107560807
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1ccc(Br)cc1C
InChIInChI=1S/C16H17BrClN/c1-10-4-5-12(9-15(10)18)16(19-3)14-7-6-13(17)8-11(14)2/h4-9,16,19H,1-3H3
InChIKeyLQUROCZEVMKEMT-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43629813
1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482156
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435225
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43629800
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561912

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine (CID 107560807) is 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(Cl)c1)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is LQUROCZEVMKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-10-4-5-12(9-15(10)18)16(19-3)14-7-6-13(17)8-11(14)2/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 338.68 g/mol, XLogP of 5.03, 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-(3-chloro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107560807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).