2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol

C11H14FNO — CID 117285395

IUPAC2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C2(N)CCC2)c1
InChIInChI=1S/C11H14FNO/c1-7-5-8(10(14)9(12)6-7)11(13)3-2-4-11/h5-6,14H,2-4,13H2,1H3
InChIKeyJLNIRBWMDPAXRJ-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.18
Rot. Bonds1

About 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol

2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol (PubChem CID 117285395) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
PubChem CID117285395
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C2(N)CCC2)c1
InChIInChI=1S/C11H14FNO/c1-7-5-8(10(14)9(12)6-7)11(13)3-2-4-11/h5-6,14H,2-4,13H2,1H3
InChIKeyJLNIRBWMDPAXRJ-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.18
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

2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
CID 117408744
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
CID 117307321
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol?
The IUPAC name of 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol (CID 117285395) is 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol?
The canonical SMILES for 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol is Cc1cc(F)c(O)c(C2(N)CCC2)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol?
The InChIKey is JLNIRBWMDPAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-5-8(10(14)9(12)6-7)11(13)3-2-4-11/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol?
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol has a molecular weight of 195.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol is sourced from PubChem (CID 117285395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).