N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine

C17H19BrFN — CID 60819665

IUPACN-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN/c1-2-10-20-17(14-7-5-8-15(19)11-14)12-13-6-3-4-9-16(13)18/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeySWOKJSFWEBEKCP-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds6

About N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 60819665) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
PubChem CID60819665
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN/c1-2-10-20-17(14-7-5-8-15(19)11-14)12-13-6-3-4-9-16(13)18/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeySWOKJSFWEBEKCP-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine 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

N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
CID 107504146
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
N-[2-(2-bromo-5-fluorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115843853
N-[1-(2-bromo-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63529110
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine (CID 60819665) is N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)c1cccc(F)c1.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is SWOKJSFWEBEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-10-20-17(14-7-5-8-15(19)11-14)12-13-6-3-4-9-16(13)18/h3-9,11,17,20H,2,10,12H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60819665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).