1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

C15H20FN — CID 105016349

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)C1C2CCCC21
InChIInChI=1S/C15H20FN/c1-9-6-10(8-11(16)7-9)15(17-2)14-12-4-3-5-13(12)14/h6-8,12-15,17H,3-5H2,1-2H3
InChIKeyDHMVYXGDEMKNQR-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.44
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 105016349) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID105016349
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)C1C2CCCC21
InChIInChI=1S/C15H20FN/c1-9-6-10(8-11(16)7-9)15(17-2)14-12-4-3-5-13(12)14/h6-8,12-15,17H,3-5H2,1-2H3
InChIKeyDHMVYXGDEMKNQR-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.44
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-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877960
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79704372
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(2,3-dihydro-1H-inden-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79703756
[(3-fluoro-5-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107194457
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79974913

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (CID 105016349) is 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(F)c1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is DHMVYXGDEMKNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-9-6-10(8-11(16)7-9)15(17-2)14-12-4-3-5-13(12)14/h6-8,12-15,17H,3-5H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 233.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105016349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).