1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine

C16H15Br2ClFN — CID 115567661

IUPAC1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H15Br2ClFN/c1-2-21-16(10-3-6-15(19)14(18)8-10)9-11-7-12(20)4-5-13(11)17/h3-8,16,21H,2,9H2,1H3
InChIKeyWOGBUYVSQCVCNQ-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.90
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine

1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine (PubChem CID 115567661) has the molecular formula C16H15Br2ClFN and a molecular weight of 435.56 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
PubChem CID115567661
Molecular FormulaC16H15Br2ClFN
Molecular Weight435.56 g/mol
Exact Mass432.92
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H15Br2ClFN/c1-2-21-16(10-3-6-15(19)14(18)8-10)9-11-7-12(20)4-5-13(11)17/h3-8,16,21H,2,9H2,1H3
InChIKeyWOGBUYVSQCVCNQ-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115843751
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 102622794
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine (CID 115567661) is 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1Br)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
The InChIKey is WOGBUYVSQCVCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClFN/c1-2-21-16(10-3-6-15(19)14(18)8-10)9-11-7-12(20)4-5-13(11)17/h3-8,16,21H,2,9H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine has a molecular weight of 435.56 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115567661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).