2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine

C16H16Br2ClN — CID 107945002

IUPAC2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClN/c1-2-20-16(9-11-4-3-5-13(19)8-11)14-7-6-12(17)10-15(14)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyCOPFBISVEHFYEB-UHFFFAOYSA-N
MW417.57 g/mol
LogP5.76
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine

2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine (PubChem CID 107945002) has the molecular formula C16H16Br2ClN and a molecular weight of 417.57 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
PubChem CID107945002
Molecular FormulaC16H16Br2ClN
Molecular Weight417.57 g/mol
Exact Mass414.93
IUPAC Name2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClN/c1-2-20-16(9-11-4-3-5-13(19)8-11)14-7-6-12(17)10-15(14)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyCOPFBISVEHFYEB-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.57
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine (CID 107945002) is 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine?
The InChIKey is COPFBISVEHFYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClN/c1-2-20-16(9-11-4-3-5-13(19)8-11)14-7-6-12(17)10-15(14)18/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine?
2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine has a molecular weight of 417.57 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine is sourced from PubChem (CID 107945002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).