6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol

C12H17NO2 — CID 117296195

IUPAC6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)ccc(C2(N)CCC2)c1O
InChIInChI=1S/C12H17NO2/c1-8-4-5-9(10(14)11(8)15-2)12(13)6-3-7-12/h4-5,14H,3,6-7,13H2,1-2H3
InChIKeyPQYSFABLSQXEHV-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.05
Rot. Bonds2

About 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol

6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol (PubChem CID 117296195) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
PubChem CID117296195
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)ccc(C2(N)CCC2)c1O
InChIInChI=1S/C12H17NO2/c1-8-4-5-9(10(14)11(8)15-2)12(13)6-3-7-12/h4-5,14H,3,6-7,13H2,1-2H3
InChIKeyPQYSFABLSQXEHV-UHFFFAOYSA-N
XLogP2.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
3-(1-aminocyclobutyl)-6-chloro-2-methoxyphenol
CID 117327822
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 84786994
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
The IUPAC name of 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol (CID 117296195) is 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
The canonical SMILES for 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol is COc1c(C)ccc(C2(N)CCC2)c1O.
What is the InChIKey of 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
The InChIKey is PQYSFABLSQXEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-5-9(10(14)11(8)15-2)12(13)6-3-7-12/h4-5,14H,3,6-7,13H2,1-2H3.
What are the key properties of 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol has a molecular weight of 207.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol is sourced from PubChem (CID 117296195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).