N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine

C15H13BrF3N — CID 43491332

IUPACN-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C15H13BrF3N/c1-2-20-15(9-3-6-12(17)14(19)7-9)11-5-4-10(16)8-13(11)18/h3-8,15,20H,2H2,1H3
InChIKeyJUEHHFMJRLLAMN-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.57
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine

N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 43491332) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
PubChem CID43491332
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C15H13BrF3N/c1-2-20-15(9-3-6-12(17)14(19)7-9)11-5-4-10(16)8-13(11)18/h3-8,15,20H,2H2,1H3
InChIKeyJUEHHFMJRLLAMN-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(3-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302655

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine (CID 43491332) is N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is JUEHHFMJRLLAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-2-20-15(9-3-6-12(17)14(19)7-9)11-5-4-10(16)8-13(11)18/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43491332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).