1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine

C11H13F2NO — CID 117303916

IUPAC1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cc(F)c(C2(N)CCC2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-10-6-8(12)7(5-9(10)13)11(14)3-2-4-11/h5-6H,2-4,14H2,1H3
InChIKeyYRLYLKPGWQVDFA-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.31
Rot. Bonds2

About 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine

1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine (PubChem CID 117303916) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
PubChem CID117303916
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cc(F)c(C2(N)CCC2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-10-6-8(12)7(5-9(10)13)11(14)3-2-4-11/h5-6H,2-4,14H2,1H3
InChIKeyYRLYLKPGWQVDFA-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

5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine (CID 117303916) is 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine is COc1cc(F)c(C2(N)CCC2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is YRLYLKPGWQVDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-10-6-8(12)7(5-9(10)13)11(14)3-2-4-11/h5-6H,2-4,14H2,1H3.
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine?
1-(2,5-difluoro-4-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-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117303916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).