1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine

C12H15ClFNO2 — CID 117403471

IUPAC1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1c(C2(N)CCC2)cc(Cl)c(F)c1OC
InChIInChI=1S/C12H15ClFNO2/c1-16-10-7(12(15)4-3-5-12)6-8(13)9(14)11(10)17-2/h6H,3-5,15H2,1-2H3
InChIKeyVFPQUBORRVYCMY-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.83
Rot. Bonds3

About 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine

1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine (PubChem CID 117403471) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
PubChem CID117403471
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1c(C2(N)CCC2)cc(Cl)c(F)c1OC
InChIInChI=1S/C12H15ClFNO2/c1-16-10-7(12(15)4-3-5-12)6-8(13)9(14)11(10)17-2/h6H,3-5,15H2,1-2H3
InChIKeyVFPQUBORRVYCMY-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117437091
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117437080
3-(1-aminocyclobutyl)-6-chloro-2-methoxyphenol
CID 117327822
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117355108
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine (CID 117403471) is 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine is COc1c(C2(N)CCC2)cc(Cl)c(F)c1OC.
What is the InChIKey of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The InChIKey is VFPQUBORRVYCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-16-10-7(12(15)4-3-5-12)6-8(13)9(14)11(10)17-2/h6H,3-5,15H2,1-2H3.
What are the key properties of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine has a molecular weight of 259.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117403471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).