1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

C13H18FN — CID 79705578

IUPAC1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CCC1
InChIInChI=1S/C13H18FN/c1-9-6-11(8-12(14)7-9)13(15-2)10-4-3-5-10/h6-8,10,13,15H,3-5H2,1-2H3
InChIKeyOWQREUJNOOSEGN-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.19
Rot. Bonds3

About 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 79705578) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID79705578
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CCC1
InChIInChI=1S/C13H18FN/c1-9-6-11(8-12(14)7-9)13(15-2)10-4-3-5-10/h6-8,10,13,15H,3-5H2,1-2H3
InChIKeyOWQREUJNOOSEGN-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
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
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 66424249
1-(2,3-dihydro-1H-inden-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79703756
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550
1-cyclopropyl-1-(3,5-difluorophenyl)-N-methylmethanamine;2-methylpropane-2-thiol
CID 170619298
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79704372
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (CID 79705578) is 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(F)c1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is OWQREUJNOOSEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-6-11(8-12(14)7-9)13(15-2)10-4-3-5-10/h6-8,10,13,15H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.19, 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-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 79705578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).