2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine

C16H16Br2ClN — CID 107947153

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClN/c1-10-3-4-11(15(19)7-10)8-16(20-2)13-6-5-12(17)9-14(13)18/h3-7,9,16,20H,8H2,1-2H3
InChIKeyFVXZKJNURHXYJN-UHFFFAOYSA-N
MW417.57 g/mol
LogP5.68
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine

2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine (PubChem CID 107947153) has the molecular formula C16H16Br2ClN and a molecular weight of 417.57 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
PubChem CID107947153
Molecular FormulaC16H16Br2ClN
Molecular Weight417.57 g/mol
Exact Mass414.93
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClN/c1-10-3-4-11(15(19)7-10)8-16(20-2)13-6-5-12(17)9-14(13)18/h3-7,9,16,20H,8H2,1-2H3
InChIKeyFVXZKJNURHXYJN-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.57
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105335180
1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine (CID 107947153) is 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine is CNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The InChIKey is FVXZKJNURHXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClN/c1-10-3-4-11(15(19)7-10)8-16(20-2)13-6-5-12(17)9-14(13)18/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine has a molecular weight of 417.57 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 107947153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).