1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine

C11H13BrFN — CID 83412154

IUPAC1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C11H13BrFN/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,14H2
InChIKeyFYKQGPJKLYKGSV-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.32
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine

1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine (PubChem CID 83412154) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
PubChem CID83412154
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C11H13BrFN/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,14H2
InChIKeyFYKQGPJKLYKGSV-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-2-fluorophenyl)oxetan-3-amine
CID 155977887
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 75537413
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine (CID 83412154) is 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine is NC1(c2ccc(Br)cc2F)CCCC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine?
The InChIKey is FYKQGPJKLYKGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,14H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine?
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine is sourced from PubChem (CID 83412154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).