1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

C17H18BrF2N — CID 105051314

IUPAC1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1cccc(F)c1Br
InChIInChI=1S/C17H18BrF2N/c1-3-21-16(14-5-4-6-15(20)17(14)18)10-12-7-8-13(19)9-11(12)2/h4-9,16,21H,3,10H2,1-2H3
InChIKeyXWUHQNSGALGWKQ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.93
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105051314) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105051314
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1cccc(F)c1Br
InChIInChI=1S/C17H18BrF2N/c1-3-21-16(14-5-4-6-15(20)17(14)18)10-12-7-8-13(19)9-11(12)2/h4-9,16,21H,3,10H2,1-2H3
InChIKeyXWUHQNSGALGWKQ-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromo-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340815
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 105051078
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
CID 115843094
N-[2-(4-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 114347863
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105051314) is 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is XWUHQNSGALGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-3-21-16(14-5-4-6-15(20)17(14)18)10-12-7-8-13(19)9-11(12)2/h4-9,16,21H,3,10H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 354.24 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105051314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).