1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine

C11H12BrF2N — CID 84810883

IUPAC1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
SMILESNC1(c2cc(Br)c(F)cc2F)CCCC1
InChIInChI=1S/C11H12BrF2N/c12-8-5-7(9(13)6-10(8)14)11(15)3-1-2-4-11/h5-6H,1-4,15H2
InChIKeyZRSXJMPACIGUHL-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.46
Rot. Bonds1

About 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine

1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine (PubChem CID 84810883) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
PubChem CID84810883
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
SMILESNC1(c2cc(Br)c(F)cc2F)CCCC1
InChIInChI=1S/C11H12BrF2N/c12-8-5-7(9(13)6-10(8)14)11(15)3-1-2-4-11/h5-6H,1-4,15H2
InChIKeyZRSXJMPACIGUHL-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine 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-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine
CID 117371666
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine
CID 166607952
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
CID 117432906
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
1-(5-bromo-2,4-difluorophenyl)cyclobutane-1-carbonitrile
CID 84809468
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine (CID 84810883) is 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine is NC1(c2cc(Br)c(F)cc2F)CCCC1.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine?
The InChIKey is ZRSXJMPACIGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-8-5-7(9(13)6-10(8)14)11(15)3-1-2-4-11/h5-6H,1-4,15H2.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine?
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine has a molecular weight of 276.12 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine is sourced from PubChem (CID 84810883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).