1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine

C12H16FNO — CID 117299047

IUPAC1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
SMILESCOc1cc(C)c(F)c(C2(N)CCC2)c1
InChIInChI=1S/C12H16FNO/c1-8-6-9(15-2)7-10(11(8)13)12(14)4-3-5-12/h6-7H,3-5,14H2,1-2H3
InChIKeyHRXNUJQCEGMFHE-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine

1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine (PubChem CID 117299047) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
PubChem CID117299047
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
SMILESCOc1cc(C)c(F)c(C2(N)CCC2)c1
InChIInChI=1S/C12H16FNO/c1-8-6-9(15-2)7-10(11(8)13)12(14)4-3-5-12/h6-7H,3-5,14H2,1-2H3
InChIKeyHRXNUJQCEGMFHE-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
CID 117286770
1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
CID 84791900
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65313238
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine (CID 117299047) is 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine is COc1cc(C)c(F)c(C2(N)CCC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine?
The InChIKey is HRXNUJQCEGMFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-9(15-2)7-10(11(8)13)12(14)4-3-5-12/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine?
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117299047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).