1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine

C13H18FN — CID 117296588

IUPAC1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine
SMILESCCc1cc(C2(N)CCC2)c(C)cc1F
InChIInChI=1S/C13H18FN/c1-3-10-8-11(9(2)7-12(10)14)13(15)5-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeySNOVGSIPHPZMFS-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.03
Rot. Bonds2

About 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine

1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine (PubChem CID 117296588) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine
PubChem CID117296588
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine
SMILESCCc1cc(C2(N)CCC2)c(C)cc1F
InChIInChI=1S/C13H18FN/c1-3-10-8-11(9(2)7-12(10)14)13(15)5-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeySNOVGSIPHPZMFS-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine
CID 117281654
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
1-(5-ethyl-2-methylphenyl)cyclohexan-1-amine
CID 117310158
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84789566
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine (CID 117296588) is 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine is CCc1cc(C2(N)CCC2)c(C)cc1F.
What is the InChIKey of 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine?
The InChIKey is SNOVGSIPHPZMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-3-10-8-11(9(2)7-12(10)14)13(15)5-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine?
1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-fluoro-2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117296588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).