5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol

C12H17NO2 — CID 117296190

IUPAC5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)cc(C2(N)CCC2)cc1O
InChIInChI=1S/C12H17NO2/c1-8-6-9(12(13)4-3-5-12)7-10(14)11(8)15-2/h6-7,14H,3-5,13H2,1-2H3
InChIKeySQQCNKMHIWZRHM-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.05
Rot. Bonds2

About 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol

5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol (PubChem CID 117296190) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
PubChem CID117296190
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)cc(C2(N)CCC2)cc1O
InChIInChI=1S/C12H17NO2/c1-8-6-9(12(13)4-3-5-12)7-10(14)11(8)15-2/h6-7,14H,3-5,13H2,1-2H3
InChIKeySQQCNKMHIWZRHM-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

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Related Compounds

5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117408749
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
The IUPAC name of 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol (CID 117296190) is 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol.
What is the SMILES notation for 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
The canonical SMILES for 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol is COc1c(C)cc(C2(N)CCC2)cc1O.
What is the InChIKey of 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
The InChIKey is SQQCNKMHIWZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-9(12(13)4-3-5-12)7-10(14)11(8)15-2/h6-7,14H,3-5,13H2,1-2H3.
What are the key properties of 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol?
5-(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 5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol is sourced from PubChem (CID 117296190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).