3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline

C12H15BrFNO — CID 115929864

IUPAC3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
SMILESCCOC1CC(Nc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C12H15BrFNO/c1-2-16-10-5-9(6-10)15-8-3-4-12(14)11(13)7-8/h3-4,7,9-10,15H,2,5-6H2,1H3
InChIKeyFVECZEPHIQLOMA-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.57
Rot. Bonds4

About 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline

3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline (PubChem CID 115929864) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
PubChem CID115929864
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
SMILESCCOC1CC(Nc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C12H15BrFNO/c1-2-16-10-5-9(6-10)15-8-3-4-12(14)11(13)7-8/h3-4,7,9-10,15H,2,5-6H2,1H3
InChIKeyFVECZEPHIQLOMA-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline 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

4-N-(3-ethoxycyclobutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 115918954
3-chloro-N-(3-ethoxycyclobutyl)aniline
CID 112568351
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
N-(3-bromo-4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113451938
3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
CID 113451910
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
N-(3-ethoxycyclobutyl)-3-methylsulfanylaniline
CID 112561869
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
CID 112572842
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 112573937
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
The IUPAC name of 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline (CID 115929864) is 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline.
What is the SMILES notation for 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
The canonical SMILES for 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline is CCOC1CC(Nc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
The InChIKey is FVECZEPHIQLOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-2-16-10-5-9(6-10)15-8-3-4-12(14)11(13)7-8/h3-4,7,9-10,15H,2,5-6H2,1H3.
What are the key properties of 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline has a molecular weight of 288.16 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline is sourced from PubChem (CID 115929864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).