[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine

C13H18FN — CID 117296578

IUPAC[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
SMILESCCc1ccc(F)c(C2(CN)CCC2)c1
InChIInChI=1S/C13H18FN/c1-2-10-4-5-12(14)11(8-10)13(9-15)6-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyIQTWDQYZFBEPCO-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.77
Rot. Bonds3

About [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine

[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine (PubChem CID 117296578) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
PubChem CID117296578
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
SMILESCCc1ccc(F)c(C2(CN)CCC2)c1
InChIInChI=1S/C13H18FN/c1-2-10-4-5-12(14)11(8-10)13(9-15)6-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyIQTWDQYZFBEPCO-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665
[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
CID 117310098
[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
CID 117321165
[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
CID 117431184
4-ethyl-1-fluoro-2-(1-isocyanatocyclobutyl)benzene
CID 117312323
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117330241
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-(5-ethyl-1-methylindol-3-yl)cyclopentyl]methanamine
CID 82278342
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine (CID 117296578) is [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine is CCc1ccc(F)c(C2(CN)CCC2)c1.
What is the InChIKey of [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine?
The InChIKey is IQTWDQYZFBEPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-10-4-5-12(14)11(8-10)13(9-15)6-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine?
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine has a molecular weight of 207.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117296578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).