[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine

C14H19F2N — CID 117351296

IUPAC[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCC(C)c1cc(F)c(F)c(C2(CN)CCC2)c1
InChIInChI=1S/C14H19F2N/c1-9(2)10-6-11(13(16)12(15)7-10)14(8-17)4-3-5-14/h6-7,9H,3-5,8,17H2,1-2H3
InChIKeyUQFPFRAKLFUQMP-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.47
Rot. Bonds3

About [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine

[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 117351296) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID117351296
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCC(C)c1cc(F)c(F)c(C2(CN)CCC2)c1
InChIInChI=1S/C14H19F2N/c1-9(2)10-6-11(13(16)12(15)7-10)14(8-17)4-3-5-14/h6-7,9H,3-5,8,17H2,1-2H3
InChIKeyUQFPFRAKLFUQMP-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
CID 117369663
[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine
CID 117431183
[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
CID 117366355
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117330241
[1-(3-fluoro-5-propan-2-ylphenyl)cyclopentyl]methanamine
CID 84797654
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine (CID 117351296) is [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine is CC(C)c1cc(F)c(F)c(C2(CN)CCC2)c1.
What is the InChIKey of [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is UQFPFRAKLFUQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9(2)10-6-11(13(16)12(15)7-10)14(8-17)4-3-5-14/h6-7,9H,3-5,8,17H2,1-2H3.
What are the key properties of [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine?
[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117351296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).