2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol

C13H19NO2 — CID 117316580

IUPAC2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
SMILESCOc1ccc(C)c(C2(CN)CCC2)c1O
InChIInChI=1S/C13H19NO2/c1-9-4-5-10(16-2)12(15)11(9)13(8-14)6-3-7-13/h4-5,15H,3,6-8,14H2,1-2H3
InChIKeyFBSOXQXWEJRABV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.09
Rot. Bonds3

About 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol

2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol (PubChem CID 117316580) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
PubChem CID117316580
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
SMILESCOc1ccc(C)c(C2(CN)CCC2)c1O
InChIInChI=1S/C13H19NO2/c1-9-4-5-10(16-2)12(15)11(9)13(8-14)6-3-7-13/h4-5,15H,3,6-8,14H2,1-2H3
InChIKeyFBSOXQXWEJRABV-UHFFFAOYSA-N
XLogP2.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol (CID 117316580) is 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol is COc1ccc(C)c(C2(CN)CCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol?
The InChIKey is FBSOXQXWEJRABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-4-5-10(16-2)12(15)11(9)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-methoxy-3-methylphenol?
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol has a molecular weight of 221.30 g/mol, XLogP of 2.09, 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-methoxy-3-methylphenol is sourced from PubChem (CID 117316580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).