4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol

C14H21NO2 — CID 117343193

IUPAC4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
SMILESCOc1cc(C2(CN)CCC2)c(C)c(C)c1O
InChIInChI=1S/C14H21NO2/c1-9-10(2)13(16)12(17-3)7-11(9)14(8-15)5-4-6-14/h7,16H,4-6,8,15H2,1-3H3
InChIKeyGYTSVXKLCFDOTH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds3

About 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol

4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol (PubChem CID 117343193) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
PubChem CID117343193
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
SMILESCOc1cc(C2(CN)CCC2)c(C)c(C)c1O
InChIInChI=1S/C14H21NO2/c1-9-10(2)13(16)12(17-3)7-11(9)14(8-15)5-4-6-14/h7,16H,4-6,8,15H2,1-3H3
InChIKeyGYTSVXKLCFDOTH-UHFFFAOYSA-N
XLogP2.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
methyl 3-[1-(aminomethyl)cyclopentyl]-4-hydroxy-5-methoxybenzoate
CID 117447945
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol (CID 117343193) is 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol is COc1cc(C2(CN)CCC2)c(C)c(C)c1O.
What is the InChIKey of 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol?
The InChIKey is GYTSVXKLCFDOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-10(2)13(16)12(17-3)7-11(9)14(8-15)5-4-6-14/h7,16H,4-6,8,15H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol?
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol is sourced from PubChem (CID 117343193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).