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

C17H18Br2FN — CID 105015550

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1cc(C)ccc1Br
InChIInChI=1S/C17H18Br2FN/c1-3-21-17(15-6-11(2)4-5-16(15)19)9-12-7-13(18)10-14(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyLVIYYVKRRFZBHQ-UHFFFAOYSA-N
MW415.14 g/mol
LogP5.55
Rot. Bonds5

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

2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine (PubChem CID 105015550) has the molecular formula C17H18Br2FN and a molecular weight of 415.14 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
PubChem CID105015550
Molecular FormulaC17H18Br2FN
Molecular Weight415.14 g/mol
Exact Mass412.98
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1cc(C)ccc1Br
InChIInChI=1S/C17H18Br2FN/c1-3-21-17(15-6-11(2)4-5-16(15)19)9-12-7-13(18)10-14(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyLVIYYVKRRFZBHQ-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

2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79709700
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105015627
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
2-(3-bromo-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105169361
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 79709365
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine (CID 105015550) is 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(Br)c1)c1cc(C)ccc1Br.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
The InChIKey is LVIYYVKRRFZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2FN/c1-3-21-17(15-6-11(2)4-5-16(15)19)9-12-7-13(18)10-14(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine?
2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105015550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).