1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

C18H22BrN — CID 114330447

IUPAC1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C18H22BrN/c1-12-5-7-15(8-6-12)11-17(20-4)16-9-13(2)18(19)14(3)10-16/h5-10,17,20H,11H2,1-4H3
InChIKeyYNEJCPJYVOHOFP-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 114330447) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID114330447
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C18H22BrN/c1-12-5-7-15(8-6-12)11-17(20-4)16-9-13(2)18(19)14(3)10-16/h5-10,17,20H,11H2,1-4H3
InChIKeyYNEJCPJYVOHOFP-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43487404
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 114932751
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 114330396
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
CID 114330377

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 114330447) is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is YNEJCPJYVOHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-12-5-7-15(8-6-12)11-17(20-4)16-9-13(2)18(19)14(3)10-16/h5-10,17,20H,11H2,1-4H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 332.29 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114330447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).