1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine

C12H15F2N — CID 64986686

IUPAC1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C12H15F2N/c1-15-12(8-3-2-4-8)9-5-10(13)7-11(14)6-9/h5-8,12,15H,2-4H2,1H3
InChIKeyJCCHMQHSCYCZPH-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.03
Rot. Bonds3

About 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine

1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine (PubChem CID 64986686) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
PubChem CID64986686
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C12H15F2N/c1-15-12(8-3-2-4-8)9-5-10(13)7-11(14)6-9/h5-8,12,15H,2-4H2,1H3
InChIKeyJCCHMQHSCYCZPH-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
1-cyclopropyl-1-(3,5-difluorophenyl)-N-methylmethanamine;2-methylpropane-2-thiol
CID 170619298
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 66424249
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121
[(3-bromo-5-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105238751
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
4-[cyclobutyl(methylamino)methyl]-N-methylaniline
CID 116952141
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine (CID 64986686) is 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine is CNC(c1cc(F)cc(F)c1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is JCCHMQHSCYCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-15-12(8-3-2-4-8)9-5-10(13)7-11(14)6-9/h5-8,12,15H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine?
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 211.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 64986686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).