1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine

C12H15BrFNO2 — CID 117489156

IUPAC1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1c(F)cc(Br)c(C2(N)CCC2)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-10-8(14)6-7(13)9(11(10)17-2)12(15)4-3-5-12/h6H,3-5,15H2,1-2H3
InChIKeyGSXQBVZITQUJQE-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.94
Rot. Bonds3

About 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine

1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine (PubChem CID 117489156) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
PubChem CID117489156
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1c(F)cc(Br)c(C2(N)CCC2)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-10-8(14)6-7(13)9(11(10)17-2)12(15)4-3-5-12/h6H,3-5,15H2,1-2H3
InChIKeyGSXQBVZITQUJQE-UHFFFAOYSA-N
XLogP2.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine
CID 117471538
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 117489270
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine (CID 117489156) is 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine is COc1c(F)cc(Br)c(C2(N)CCC2)c1OC.
What is the InChIKey of 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The InChIKey is GSXQBVZITQUJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-16-10-8(14)6-7(13)9(11(10)17-2)12(15)4-3-5-12/h6H,3-5,15H2,1-2H3.
What are the key properties of 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine has a molecular weight of 304.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117489156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).