2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol

C13H19NOS — CID 117347815

IUPAC2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C1(CN)CCC1
InChIInChI=1S/C13H19NOS/c1-9-4-5-10(16-2)11(12(9)15)13(8-14)6-3-7-13/h4-5,15H,3,6-8,14H2,1-2H3
InChIKeyUQVOQFORVHMTHA-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol

2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol (PubChem CID 117347815) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
PubChem CID117347815
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C1(CN)CCC1
InChIInChI=1S/C13H19NOS/c1-9-4-5-10(16-2)11(12(9)15)13(8-14)6-3-7-13/h4-5,15H,3,6-8,14H2,1-2H3
InChIKeyUQVOQFORVHMTHA-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol
CID 117347875
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
CID 117312988
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol (CID 117347815) is 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol is CSc1ccc(C)c(O)c1C1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol?
The InChIKey is UQVOQFORVHMTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-4-5-10(16-2)11(12(9)15)13(8-14)6-3-7-13/h4-5,15H,3,6-8,14H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol?
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol has a molecular weight of 237.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol is sourced from PubChem (CID 117347815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).