N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine

C15H13BrF3N — CID 61016312

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
SMILESCC(NCc1cc(F)ccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C15H13BrF3N/c1-9(13-7-12(18)3-5-15(13)19)20-8-10-6-11(17)2-4-14(10)16/h2-7,9,20H,8H2,1H3
InChIKeyIPVGAIYQEWVSPA-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.72
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine (PubChem CID 61016312) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
PubChem CID61016312
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
SMILESCC(NCc1cc(F)ccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C15H13BrF3N/c1-9(13-7-12(18)3-5-15(13)19)20-8-10-6-11(17)2-4-14(10)16/h2-7,9,20H,8H2,1H3
InChIKeyIPVGAIYQEWVSPA-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 61016209
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
CID 54902136
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 61017117
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine (CID 61016312) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine is CC(NCc1cc(F)ccc1Br)c1cc(F)ccc1F.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is IPVGAIYQEWVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-9(13-7-12(18)3-5-15(13)19)20-8-10-6-11(17)2-4-14(10)16/h2-7,9,20H,8H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 61016312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).