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

C12H16BrNO2 — CID 117461184

IUPAC3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
SMILESCOc1c(C2(CN)CCC2)ccc(Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-16-11-8(3-4-9(13)10(11)15)12(7-14)5-2-6-12/h3-4,15H,2,5-7,14H2,1H3
InChIKeyDFCYMFIWGWYRNH-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.54
Rot. Bonds3

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

3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol (PubChem CID 117461184) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
PubChem CID117461184
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
SMILESCOc1c(C2(CN)CCC2)ccc(Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-16-11-8(3-4-9(13)10(11)15)12(7-14)5-2-6-12/h3-4,15H,2,5-7,14H2,1H3
InChIKeyDFCYMFIWGWYRNH-UHFFFAOYSA-N
XLogP2.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117488343
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol (CID 117461184) is 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol is COc1c(C2(CN)CCC2)ccc(Br)c1O.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol?
The InChIKey is DFCYMFIWGWYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-11-8(3-4-9(13)10(11)15)12(7-14)5-2-6-12/h3-4,15H,2,5-7,14H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol?
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol has a molecular weight of 286.17 g/mol, XLogP of 2.54, 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]-6-bromo-2-methoxyphenol is sourced from PubChem (CID 117461184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).