N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine

C15H13BrClF2N — CID 79747189

IUPACN-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(9-6-7-12(18)10(16)8-9)14-11(17)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyUPRJRPIOZLVGJH-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.08
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine

N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine (PubChem CID 79747189) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
PubChem CID79747189
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC NameN-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(9-6-7-12(18)10(16)8-9)14-11(17)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyUPRJRPIOZLVGJH-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489376
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796556
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
CID 79743561
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
N-[(3-bromo-2,6-difluorophenyl)-(4-chlorophenyl)methyl]ethanamine
CID 106942191
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(3-bromo-4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79747602
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine (CID 79747189) is N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(Br)c1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine?
The InChIKey is UPRJRPIOZLVGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-2-20-15(9-6-7-12(18)10(16)8-9)14-11(17)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine?
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine has a molecular weight of 360.63 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 79747189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).