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

C16H17BrClN — CID 107945587

IUPAC1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H17BrClN/c1-10-4-5-12(6-11(10)2)16(19-3)13-7-14(17)9-15(18)8-13/h4-9,16,19H,1-3H3
InChIKeyATOZGRHIZFCTDL-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.03
Rot. Bonds3

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

1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 107945587) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID107945587
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H17BrClN/c1-10-4-5-12(6-11(10)2)16(19-3)13-7-14(17)9-15(18)8-13/h4-9,16,19H,1-3H3
InChIKeyATOZGRHIZFCTDL-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-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-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-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480138
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 107945351
[(3-bromo-5-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 107948189
1-(3-bromo-5-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 107947096
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 107950722
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 107945587) is 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Br)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is ATOZGRHIZFCTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-10-4-5-12(6-11(10)2)16(19-3)13-7-14(17)9-15(18)8-13/h4-9,16,19H,1-3H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-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-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107945587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).