1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine

C11H12BrF2NO — CID 117471538

IUPAC1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1c(Br)cc(F)c(F)c1C1(N)CCC1
InChIInChI=1S/C11H12BrF2NO/c1-16-10-6(12)5-7(13)9(14)8(10)11(15)3-2-4-11/h5H,2-4,15H2,1H3
InChIKeyIMNVUGSRBOLZJK-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.07
Rot. Bonds2

About 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine

1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine (PubChem CID 117471538) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine
PubChem CID117471538
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1c(Br)cc(F)c(F)c1C1(N)CCC1
InChIInChI=1S/C11H12BrF2NO/c1-16-10-6(12)5-7(13)9(14)8(10)11(15)3-2-4-11/h5H,2-4,15H2,1H3
InChIKeyIMNVUGSRBOLZJK-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117489156
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
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-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 117489270
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117437080
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine (CID 117471538) is 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine is COc1c(Br)cc(F)c(F)c1C1(N)CCC1.
What is the InChIKey of 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is IMNVUGSRBOLZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-16-10-6(12)5-7(13)9(14)8(10)11(15)3-2-4-11/h5H,2-4,15H2,1H3.
What are the key properties of 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine?
1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 292.12 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117471538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).