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

C12H15F2N — CID 64986442

IUPAC1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)C1CCC1
InChIInChI=1S/C12H15F2N/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8,12H,1-3,7,15H2
InChIKeySJVKJHWSCMTVNL-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.63
Rot. Bonds3

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

1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine (PubChem CID 64986442) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
PubChem CID64986442
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)C1CCC1
InChIInChI=1S/C12H15F2N/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8,12H,1-3,7,15H2
InChIKeySJVKJHWSCMTVNL-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine (CID 64986442) is 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine is NC(Cc1cc(F)ccc1F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine?
The InChIKey is SJVKJHWSCMTVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8,12H,1-3,7,15H2.
What are the key properties of 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine?
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 64986442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).