2-bromo-N-cyclobutyl-5-fluoroaniline

C10H11BrFN — CID 107633201

IUPAC2-bromo-N-cyclobutyl-5-fluoroaniline
SMILESFc1ccc(Br)c(NC2CCC2)c1
InChIInChI=1S/C10H11BrFN/c11-9-5-4-7(12)6-10(9)13-8-2-1-3-8/h4-6,8,13H,1-3H2
InChIKeyXESNOFUVWDHRFU-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.55
Rot. Bonds2

About 2-bromo-N-cyclobutyl-5-fluoroaniline

2-bromo-N-cyclobutyl-5-fluoroaniline (PubChem CID 107633201) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-bromo-N-cyclobutyl-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-cyclobutyl-5-fluoroaniline
PubChem CID107633201
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name2-bromo-N-cyclobutyl-5-fluoroaniline
SMILESFc1ccc(Br)c(NC2CCC2)c1
InChIInChI=1S/C10H11BrFN/c11-9-5-4-7(12)6-10(9)13-8-2-1-3-8/h4-6,8,13H,1-3H2
InChIKeyXESNOFUVWDHRFU-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-cyclobutyl-5-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

N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
CID 103755930
N-(2-bromo-5-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 107633424
2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline
CID 107632713
2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline
CID 170754007
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769
2-bromo-N-[3-(3-bromophenyl)cyclobutyl]-5-fluoroaniline
CID 107632699
N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline
CID 115885041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclobutyl-5-fluoroaniline?
The IUPAC name of 2-bromo-N-cyclobutyl-5-fluoroaniline (CID 107633201) is 2-bromo-N-cyclobutyl-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-cyclobutyl-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-cyclobutyl-5-fluoroaniline is Fc1ccc(Br)c(NC2CCC2)c1.
What is the InChIKey of 2-bromo-N-cyclobutyl-5-fluoroaniline?
The InChIKey is XESNOFUVWDHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-9-5-4-7(12)6-10(9)13-8-2-1-3-8/h4-6,8,13H,1-3H2.
What are the key properties of 2-bromo-N-cyclobutyl-5-fluoroaniline?
2-bromo-N-cyclobutyl-5-fluoroaniline has a molecular weight of 244.11 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclobutyl-5-fluoroaniline is sourced from PubChem (CID 107633201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).