1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine

C15H15BrClN — CID 81109537

IUPAC1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1cc(C)ccc1Br
InChIInChI=1S/C15H15BrClN/c1-10-3-8-14(16)13(9-10)15(18-2)11-4-6-12(17)7-5-11/h3-9,15,18H,1-2H3
InChIKeyHTOVHVZTYZOSDM-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.72
Rot. Bonds3

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

1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 81109537) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID81109537
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1cc(C)ccc1Br
InChIInChI=1S/C15H15BrClN/c1-10-3-8-14(16)13(9-10)15(18-2)11-4-6-12(17)7-5-11/h3-9,15,18H,1-2H3
InChIKeyHTOVHVZTYZOSDM-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481456
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 81110681
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855163
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83043843
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667
1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763637
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine (CID 81109537) is 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is HTOVHVZTYZOSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-3-8-14(16)13(9-10)15(18-2)11-4-6-12(17)7-5-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 81109537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).