3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol

C12H15BrFNO2 — CID 117489148

IUPAC3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
SMILESCOc1c(O)c(F)cc(Br)c1C1(CN)CCC1
InChIInChI=1S/C12H15BrFNO2/c1-17-11-9(12(6-15)3-2-4-12)7(13)5-8(14)10(11)16/h5,16H,2-4,6,15H2,1H3
InChIKeyFXQYPRYTQCZHHN-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.68
Rot. Bonds3

About 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol

3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol (PubChem CID 117489148) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
PubChem CID117489148
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
SMILESCOc1c(O)c(F)cc(Br)c1C1(CN)CCC1
InChIInChI=1S/C12H15BrFNO2/c1-17-11-9(12(6-15)3-2-4-12)7(13)5-8(14)10(11)16/h5,16H,2-4,6,15H2,1H3
InChIKeyFXQYPRYTQCZHHN-UHFFFAOYSA-N
XLogP2.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 117489270
[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117489156
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol
CID 117361338
3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
CID 117455550
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol (CID 117489148) is 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol is COc1c(O)c(F)cc(Br)c1C1(CN)CCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol?
The InChIKey is FXQYPRYTQCZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-11-9(12(6-15)3-2-4-12)7(13)5-8(14)10(11)16/h5,16H,2-4,6,15H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol?
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol has a molecular weight of 304.16 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol is sourced from PubChem (CID 117489148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).