5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol

C15H23NO2 — CID 117377061

IUPAC5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1C1(N)CCC1
InChIInChI=1S/C15H23NO2/c1-14(2,3)10-9-13(18-4)11(8-12(10)17)15(16)6-5-7-15/h8-9,17H,5-7,16H2,1-4H3
InChIKeyGBJQTXGTPHSKIY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds2

About 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol

5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol (PubChem CID 117377061) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol.

Molecular Properties

Compound Name5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
PubChem CID117377061
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1C1(N)CCC1
InChIInChI=1S/C15H23NO2/c1-14(2,3)10-9-13(18-4)11(8-12(10)17)15(16)6-5-7-15/h8-9,17H,5-7,16H2,1-4H3
InChIKeyGBJQTXGTPHSKIY-UHFFFAOYSA-N
XLogP3.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981
1-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117446135
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
4-(1-aminocyclobutyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117369621
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
CID 117444880
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
4-(1-aminocyclopentyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117406727

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol?
The IUPAC name of 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol (CID 117377061) is 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol.
What is the SMILES notation for 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol?
The canonical SMILES for 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol is COc1cc(C(C)(C)C)c(O)cc1C1(N)CCC1.
What is the InChIKey of 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol?
The InChIKey is GBJQTXGTPHSKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,3)10-9-13(18-4)11(8-12(10)17)15(16)6-5-7-15/h8-9,17H,5-7,16H2,1-4H3.
What are the key properties of 5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol?
5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.04, 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-tert-butyl-4-methoxyphenol is sourced from PubChem (CID 117377061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).