1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine

C14H11Br2Cl2N — CID 107974357

IUPAC1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1Cl)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2Cl2N/c15-10-3-9(4-11(16)6-10)14(19)5-8-1-2-12(17)7-13(8)18/h1-4,6-7,14H,5,19H2
InChIKeyHHZLJDLHZXAIAT-UHFFFAOYSA-N
MW423.96 g/mol
LogP5.76
Rot. Bonds3

About 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine

1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 107974357) has the molecular formula C14H11Br2Cl2N and a molecular weight of 423.96 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
PubChem CID107974357
Molecular FormulaC14H11Br2Cl2N
Molecular Weight423.96 g/mol
Exact Mass420.86
IUPAC Name1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1Cl)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2Cl2N/c15-10-3-9(4-11(16)6-10)14(19)5-8-1-2-12(17)7-13(8)18/h1-4,6-7,14H,5,19H2
InChIKeyHHZLJDLHZXAIAT-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.96
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 107978987
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 107974218
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220
2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104603
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine (CID 107974357) is 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1Cl)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is HHZLJDLHZXAIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2N/c15-10-3-9(4-11(16)6-10)14(19)5-8-1-2-12(17)7-13(8)18/h1-4,6-7,14H,5,19H2.
What are the key properties of 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine?
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine has a molecular weight of 423.96 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 107974357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).