5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol

C13H18FNO2 — CID 117350816

IUPAC5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(C2(CN)CCC2)c(C)c1O
InChIInChI=1S/C13H18FNO2/c1-8-9(13(7-15)4-3-5-13)6-10(14)12(17-2)11(8)16/h6,16H,3-5,7,15H2,1-2H3
InChIKeyKXDGOHIZKIOOBT-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.23
Rot. Bonds3

About 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol

5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol (PubChem CID 117350816) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
PubChem CID117350816
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(C2(CN)CCC2)c(C)c1O
InChIInChI=1S/C13H18FNO2/c1-8-9(13(7-15)4-3-5-13)6-10(14)12(17-2)11(8)16/h6,16H,3-5,7,15H2,1-2H3
InChIKeyKXDGOHIZKIOOBT-UHFFFAOYSA-N
XLogP2.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol?
The IUPAC name of 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol (CID 117350816) is 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol.
What is the SMILES notation for 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol?
The canonical SMILES for 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol is COc1c(F)cc(C2(CN)CCC2)c(C)c1O.
What is the InChIKey of 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol?
The InChIKey is KXDGOHIZKIOOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8-9(13(7-15)4-3-5-13)6-10(14)12(17-2)11(8)16/h6,16H,3-5,7,15H2,1-2H3.
What are the key properties of 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol?
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol has a molecular weight of 239.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol is sourced from PubChem (CID 117350816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).