1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine

C16H17BrClN — CID 63527757

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClN/c1-11-5-3-4-6-12(11)9-16(19-2)14-8-7-13(17)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyZMSXLEURYMHDGN-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.91
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 63527757) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID63527757
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClN/c1-11-5-3-4-6-12(11)9-16(19-2)14-8-7-13(17)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyZMSXLEURYMHDGN-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107312321
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82774819
1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863002
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 43486785

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine (CID 63527757) is 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine is CNC(Cc1ccccc1C)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is ZMSXLEURYMHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-11-5-3-4-6-12(11)9-16(19-2)14-8-7-13(17)10-15(14)18/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine has a molecular weight of 338.68 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63527757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).