1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine

C13H17F2N — CID 64986277

IUPAC1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)C1CCC1
InChIInChI=1S/C13H17F2N/c1-16-13(9-3-2-4-9)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyCEEDXDWEKFPSDW-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds4

About 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine

1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine (PubChem CID 64986277) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
PubChem CID64986277
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)C1CCC1
InChIInChI=1S/C13H17F2N/c1-16-13(9-3-2-4-9)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyCEEDXDWEKFPSDW-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
CID 64740451
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 114347797
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine (CID 64986277) is 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine?
The InChIKey is CEEDXDWEKFPSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-16-13(9-3-2-4-9)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,16H,2-4,7H2,1H3.
What are the key properties of 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine?
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine has a molecular weight of 225.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 64986277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).