2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine

C17H18BrF2N — CID 115787263

IUPAC2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H18BrF2N/c1-3-21-17(9-12-6-4-5-7-14(12)18)13-8-11(2)15(19)10-16(13)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyNBRFBVDFRHIJAE-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.93
Rot. Bonds5

About 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine

2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine (PubChem CID 115787263) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
PubChem CID115787263
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H18BrF2N/c1-3-21-17(9-12-6-4-5-7-14(12)18)13-8-11(2)15(19)10-16(13)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyNBRFBVDFRHIJAE-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

2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 115787466
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
N-[(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79726080
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine (CID 115787263) is 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Br)c1cc(C)c(F)cc1F.
What is the InChIKey of 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine?
The InChIKey is NBRFBVDFRHIJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-3-21-17(9-12-6-4-5-7-14(12)18)13-8-11(2)15(19)10-16(13)20/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine?
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine 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 2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115787263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).