1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine

C11H13F2NO — CID 117303912

IUPAC1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(F)c(C2(N)CCC2)c1F
InChIInChI=1S/C11H13F2NO/c1-15-8-4-3-7(12)9(10(8)13)11(14)5-2-6-11/h3-4H,2,5-6,14H2,1H3
InChIKeyYNEVIXIYMAVOGH-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.31
Rot. Bonds2

About 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine

1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine (PubChem CID 117303912) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
PubChem CID117303912
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(F)c(C2(N)CCC2)c1F
InChIInChI=1S/C11H13F2NO/c1-15-8-4-3-7(12)9(10(8)13)11(14)5-2-6-11/h3-4H,2,5-6,14H2,1H3
InChIKeyYNEVIXIYMAVOGH-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
1,3-difluoro-2-(1-isocyanatocyclobutyl)-4-methoxybenzene
CID 117350102
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine (CID 117303912) is 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine is COc1ccc(F)c(C2(N)CCC2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is YNEVIXIYMAVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-8-4-3-7(12)9(10(8)13)11(14)5-2-6-11/h3-4H,2,5-6,14H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine?
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117303912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).