1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

C16H17BrFN — CID 43191748

IUPAC1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrFN/c1-12(14-4-6-15(17)7-5-14)19-11-10-13-2-8-16(18)9-3-13/h2-9,12,19H,10-11H2,1H3
InChIKeyFVOFLYTVAMIZSU-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (PubChem CID 43191748) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
PubChem CID43191748
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrFN/c1-12(14-4-6-15(17)7-5-14)19-11-10-13-2-8-16(18)9-3-13/h2-9,12,19H,10-11H2,1H3
InChIKeyFVOFLYTVAMIZSU-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]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

1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565956
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 82961644
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (CID 43191748) is 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is CC(NCCc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The InChIKey is FVOFLYTVAMIZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-12(14-4-6-15(17)7-5-14)19-11-10-13-2-8-16(18)9-3-13/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43191748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).