2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol

C12H16FNO — CID 117298959

IUPAC2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
SMILESCc1cc(O)c(C2(N)CCCC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-6-11(15)9(7-10(8)13)12(14)4-2-3-5-12/h6-7,15H,2-5,14H2,1H3
InChIKeyGYFHWPDWWCMFSC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.57
Rot. Bonds1

About 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol

2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol (PubChem CID 117298959) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
PubChem CID117298959
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
SMILESCc1cc(O)c(C2(N)CCCC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-6-11(15)9(7-10(8)13)12(14)4-2-3-5-12/h6-7,15H,2-5,14H2,1H3
InChIKeyGYFHWPDWWCMFSC-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278
2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
CID 84776496
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
6-(1-aminocyclopentyl)-2,3-dihydro-1H-inden-5-ol
CID 117309765
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol (CID 117298959) is 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol is Cc1cc(O)c(C2(N)CCCC2)cc1F.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol?
The InChIKey is GYFHWPDWWCMFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-11(15)9(7-10(8)13)12(14)4-2-3-5-12/h6-7,15H,2-5,14H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol?
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.57, 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-fluoro-5-methylphenol is sourced from PubChem (CID 117298959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).