1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

C16H15Br2Cl2N — CID 115863189

IUPAC1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2Cl2N/c1-2-21-16(13-9-11(17)3-5-14(13)18)8-10-7-12(19)4-6-15(10)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyFEKZWCONJWOSJE-UHFFFAOYSA-N
MW452.02 g/mol
LogP6.41
Rot. Bonds5

About 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (PubChem CID 115863189) has the molecular formula C16H15Br2Cl2N and a molecular weight of 452.02 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
PubChem CID115863189
Molecular FormulaC16H15Br2Cl2N
Molecular Weight452.02 g/mol
Exact Mass448.89
IUPAC Name1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2Cl2N/c1-2-21-16(13-9-11(17)3-5-14(13)18)8-10-7-12(19)4-6-15(10)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyFEKZWCONJWOSJE-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.02
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 105037839
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (CID 115863189) is 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The InChIKey is FEKZWCONJWOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2Cl2N/c1-2-21-16(13-9-11(17)3-5-14(13)18)8-10-7-12(19)4-6-15(10)20/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine has a molecular weight of 452.02 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115863189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).