N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine

C13H17BrFN — CID 115733485

IUPACN-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
SMILESCC(NC(C)C1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFN/c1-8(10-3-4-10)16-9(2)11-5-6-12(14)13(15)7-11/h5-10,16H,3-4H2,1-2H3
InChIKeyUJJUUHKCUHOFCP-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine

N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine (PubChem CID 115733485) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
PubChem CID115733485
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC NameN-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
SMILESCC(NC(C)C1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFN/c1-8(10-3-4-10)16-9(2)11-5-6-12(14)13(15)7-11/h5-10,16H,3-4H2,1-2H3
InChIKeyUJJUUHKCUHOFCP-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine 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

1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
CID 115683937
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
CID 81393845
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 64919026
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine (CID 115733485) is N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine is CC(NC(C)C1CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine?
The InChIKey is UJJUUHKCUHOFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-8(10-3-4-10)16-9(2)11-5-6-12(14)13(15)7-11/h5-10,16H,3-4H2,1-2H3.
What are the key properties of N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine?
N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine has a molecular weight of 286.19 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 115733485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).