1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

C16H15BrCl3N — CID 115863240

IUPAC1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H15BrCl3N/c1-2-21-16(13-9-11(17)3-5-15(13)20)8-10-7-12(18)4-6-14(10)19/h3-7,9,16,21H,2,8H2,1H3
InChIKeySXXXWXLICAPJJS-UHFFFAOYSA-N
MW407.57 g/mol
LogP6.30
Rot. Bonds5

About 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (PubChem CID 115863240) has the molecular formula C16H15BrCl3N and a molecular weight of 407.57 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
PubChem CID115863240
Molecular FormulaC16H15BrCl3N
Molecular Weight407.57 g/mol
Exact Mass404.95
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H15BrCl3N/c1-2-21-16(13-9-11(17)3-5-15(13)20)8-10-7-12(18)4-6-14(10)19/h3-7,9,16,21H,2,8H2,1H3
InChIKeySXXXWXLICAPJJS-UHFFFAOYSA-N
XLogP6.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (CID 115863240) is 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The InChIKey is SXXXWXLICAPJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl3N/c1-2-21-16(13-9-11(17)3-5-15(13)20)8-10-7-12(18)4-6-14(10)19/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine has a molecular weight of 407.57 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115863240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).