N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine

C15H12Br2F3N — CID 65101679

IUPACN-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H12Br2F3N/c1-2-21-15(10-5-8(16)3-4-11(10)17)14-12(19)6-9(18)7-13(14)20/h3-7,15,21H,2H2,1H3
InChIKeyFWRJMVJIWWQDLC-UHFFFAOYSA-N
MW423.07 g/mol
LogP5.33
Rot. Bonds4

About N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (PubChem CID 65101679) has the molecular formula C15H12Br2F3N and a molecular weight of 423.07 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
PubChem CID65101679
Molecular FormulaC15H12Br2F3N
Molecular Weight423.07 g/mol
Exact Mass420.93
IUPAC NameN-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H12Br2F3N/c1-2-21-15(10-5-8(16)3-4-11(10)17)14-12(19)6-9(18)7-13(14)20/h3-7,15,21H,2H2,1H3
InChIKeyFWRJMVJIWWQDLC-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.07
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945869
N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 81499504
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(5-bromo-2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878329
N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 115861367
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 114558957
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483186

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (CID 65101679) is N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1Br)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The InChIKey is FWRJMVJIWWQDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F3N/c1-2-21-15(10-5-8(16)3-4-11(10)17)14-12(19)6-9(18)7-13(14)20/h3-7,15,21H,2H2,1H3.
What are the key properties of N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine has a molecular weight of 423.07 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 65101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).