4-bromo-N-cyclopropyl-3-fluoroaniline

C9H9BrFN — CID 103439274

IUPAC4-bromo-N-cyclopropyl-3-fluoroaniline
SMILESFc1cc(NC2CC2)ccc1Br
InChIInChI=1S/C9H9BrFN/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyLENRUNDRUADMMQ-UHFFFAOYSA-N
MW230.08 g/mol
LogP3.16
Rot. Bonds2

About 4-bromo-N-cyclopropyl-3-fluoroaniline

4-bromo-N-cyclopropyl-3-fluoroaniline (PubChem CID 103439274) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-3-fluoroaniline
PubChem CID103439274
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name4-bromo-N-cyclopropyl-3-fluoroaniline
SMILESFc1cc(NC2CC2)ccc1Br
InChIInChI=1S/C9H9BrFN/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyLENRUNDRUADMMQ-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-cyclopropyl-3-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-(4-bromo-3-fluorophenyl)thietan-3-amine
CID 130659859
N-(4-bromo-3-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 65432364
4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
CID 65435528
N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
4-bromo-1-N-cyclopentylbenzene-1,3-diamine
CID 82934286
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-3-fluoroaniline?
The IUPAC name of 4-bromo-N-cyclopropyl-3-fluoroaniline (CID 103439274) is 4-bromo-N-cyclopropyl-3-fluoroaniline.
What is the SMILES notation for 4-bromo-N-cyclopropyl-3-fluoroaniline?
The canonical SMILES for 4-bromo-N-cyclopropyl-3-fluoroaniline is Fc1cc(NC2CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-cyclopropyl-3-fluoroaniline?
The InChIKey is LENRUNDRUADMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6,12H,1-2H2.
What are the key properties of 4-bromo-N-cyclopropyl-3-fluoroaniline?
4-bromo-N-cyclopropyl-3-fluoroaniline has a molecular weight of 230.08 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-3-fluoroaniline is sourced from PubChem (CID 103439274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).