N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine

C15H15BrFNO — CID 43283217

IUPACN-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrFNO/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3
InChIKeyTVLAWBHUEMTSIM-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.49
Rot. Bonds5

About N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine

N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine (PubChem CID 43283217) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
PubChem CID43283217
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrFNO/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3
InChIKeyTVLAWBHUEMTSIM-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]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

N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689
N-[[3-fluoro-4-(3-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031652
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[4-(4-bromo-2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 107659542
(1R)-1-[4-(3-bromophenoxy)-3-fluorophenyl]ethanol
CID 78941612
N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63550513
N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine (CID 43283217) is N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(Br)c2)c(F)c1.
What is the InChIKey of N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine?
The InChIKey is TVLAWBHUEMTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-18-10-11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine?
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 43283217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).