2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol

C11H13BrFNO — CID 117437486

IUPAC2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
SMILESNC1(c2cc(Br)cc(F)c2O)CCCC1
InChIInChI=1S/C11H13BrFNO/c12-7-5-8(10(15)9(13)6-7)11(14)3-1-2-4-11/h5-6,15H,1-4,14H2
InChIKeyUIRQERAYVARHAX-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.02
Rot. Bonds1

About 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol

2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol (PubChem CID 117437486) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
PubChem CID117437486
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
SMILESNC1(c2cc(Br)cc(F)c2O)CCCC1
InChIInChI=1S/C11H13BrFNO/c12-7-5-8(10(15)9(13)6-7)11(14)3-1-2-4-11/h5-6,15H,1-4,14H2
InChIKeyUIRQERAYVARHAX-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol 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

2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466689
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
3-(1-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol?
The IUPAC name of 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol (CID 117437486) is 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol is NC1(c2cc(Br)cc(F)c2O)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol?
The InChIKey is UIRQERAYVARHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-7-5-8(10(15)9(13)6-7)11(14)3-1-2-4-11/h5-6,15H,1-4,14H2.
What are the key properties of 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol?
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol has a molecular weight of 274.13 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol is sourced from PubChem (CID 117437486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).