2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine

C17H18Br2FN — CID 105020475

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1cc(C)ccc1Br
InChIInChI=1S/C17H18Br2FN/c1-3-21-16(13-9-11(2)7-8-14(13)18)10-12-5-4-6-15(20)17(12)19/h4-9,16,21H,3,10H2,1-2H3
InChIKeySINAYRXSQYHDSU-UHFFFAOYSA-N
MW415.14 g/mol
LogP5.55
Rot. Bonds5

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

2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine (PubChem CID 105020475) has the molecular formula C17H18Br2FN and a molecular weight of 415.14 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
PubChem CID105020475
Molecular FormulaC17H18Br2FN
Molecular Weight415.14 g/mol
Exact Mass412.98
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1cc(C)ccc1Br
InChIInChI=1S/C17H18Br2FN/c1-3-21-16(13-9-11(2)7-8-14(13)18)10-12-5-4-6-15(20)17(12)19/h4-9,16,21H,3,10H2,1-2H3
InChIKeySINAYRXSQYHDSU-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.14
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105020553
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine (CID 105020475) is 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Br)c1cc(C)ccc1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
The InChIKey is SINAYRXSQYHDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2FN/c1-3-21-16(13-9-11(2)7-8-14(13)18)10-12-5-4-6-15(20)17(12)19/h4-9,16,21H,3,10H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine has a molecular weight of 415.14 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105020475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).