4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine

C11H14BrFN2 — CID 116736273

IUPAC4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
SMILESCC1CC(Nc2cc(Br)c(F)cc2N)C1
InChIInChI=1S/C11H14BrFN2/c1-6-2-7(3-6)15-11-4-8(12)9(13)5-10(11)14/h4-7,15H,2-3,14H2,1H3
InChIKeyCJRZJUWEYAUQLH-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.38
Rot. Bonds2

About 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine

4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine (PubChem CID 116736273) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
PubChem CID116736273
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
SMILESCC1CC(Nc2cc(Br)c(F)cc2N)C1
InChIInChI=1S/C11H14BrFN2/c1-6-2-7(3-6)15-11-4-8(12)9(13)5-10(11)14/h4-7,15H,2-3,14H2,1H3
InChIKeyCJRZJUWEYAUQLH-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine 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-bromo-2-N-(4,4-dimethylcyclohexyl)-5-fluorobenzene-1,2-diamine
CID 116735998
4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 116735934
1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine
CID 102853239
4-bromo-1-N-(3,5-dimethylcyclohexyl)benzene-1,2-diamine
CID 64732067
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684
4-bromo-5-fluoro-2-N-[(3-methylcyclopentyl)methyl]benzene-1,2-diamine
CID 107411269
1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine
CID 107591345
4-bromo-5-fluoro-1-N-(3,3,5,5-tetramethylcyclohexyl)benzene-1,2-diamine
CID 103965326
4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
4-bromo-5-fluoro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 116735834
4-bromo-5-fluoro-2-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 116735930
4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543148

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine (CID 116736273) is 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine is CC1CC(Nc2cc(Br)c(F)cc2N)C1.
What is the InChIKey of 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine?
The InChIKey is CJRZJUWEYAUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-6-2-7(3-6)15-11-4-8(12)9(13)5-10(11)14/h4-7,15H,2-3,14H2,1H3.
What are the key properties of 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine?
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine has a molecular weight of 273.15 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine is sourced from PubChem (CID 116736273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).