2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine

C12H15F2N — CID 65458373

IUPAC2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
SMILESNC(CC1CCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c13-10-5-9(6-11(14)7-10)12(15)4-8-2-1-3-8/h5-8,12H,1-4,15H2
InChIKeyOEDFJLFVCPQVEV-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.15
Rot. Bonds3

About 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine

2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine (PubChem CID 65458373) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
PubChem CID65458373
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
SMILESNC(CC1CCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c13-10-5-9(6-11(14)7-10)12(15)4-8-2-1-3-8/h5-8,12H,1-4,15H2
InChIKeyOEDFJLFVCPQVEV-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126
3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
CID 130657885
[2-cyclobutyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207885
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 43104806
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine
CID 115847384
[2-cycloheptyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105301798
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine (CID 65458373) is 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine is NC(CC1CCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine?
The InChIKey is OEDFJLFVCPQVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-10-5-9(6-11(14)7-10)12(15)4-8-2-1-3-8/h5-8,12H,1-4,15H2.
What are the key properties of 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine?
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 65458373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).