5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine

C17H24FN — CID 145463478

IUPAC5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine
SMILESC/N=C(\C)CCCC1CC1(C)c1ccc(F)c(C)c1
InChIInChI=1S/C17H24FN/c1-12-10-14(8-9-16(12)18)17(3)11-15(17)7-5-6-13(2)19-4/h8-10,15H,5-7,11H2,1-4H3/b19-13+
InChIKeyKZXZQUABEJNWLN-CPNJWEJPSA-N
MW261.38 g/mol
LogP4.67
Rot. Bonds5

About 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine

5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine (PubChem CID 145463478) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine
PubChem CID145463478
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine
SMILESC/N=C(\C)CCCC1CC1(C)c1ccc(F)c(C)c1
InChIInChI=1S/C17H24FN/c1-12-10-14(8-9-16(12)18)17(3)11-15(17)7-5-6-13(2)19-4/h8-10,15H,5-7,11H2,1-4H3/b19-13+
InChIKeyKZXZQUABEJNWLN-CPNJWEJPSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine
CID 145463470
1-(4-fluoro-3-methylphenyl)-3-methylcyclobutan-1-ol
CID 103564406
1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663637
[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
CID 143403303
[2-(3-fluorophenyl)-2-methylcyclopropyl]methanol
CID 81358099
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
3-ethyl-5-(4-fluoro-3-methylphenyl)-3-azatricyclo[3.1.0.02,6]hexane
CID 135292772
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
3-(4-fluoro-3-methylphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171959317
3-(4-fluoro-3-methylphenyl)-5,5-dimethylthian-3-ol
CID 79947637
4-ethyl-1-(4-fluoro-3-methylphenyl)cycloheptan-1-ol
CID 65086040
3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine (CID 145463478) is 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine is C/N=C(\C)CCCC1CC1(C)c1ccc(F)c(C)c1.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine?
The InChIKey is KZXZQUABEJNWLN-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H24FN/c1-12-10-14(8-9-16(12)18)17(3)11-15(17)7-5-6-13(2)19-4/h8-10,15H,5-7,11H2,1-4H3/b19-13+.
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine?
5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine has a molecular weight of 261.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine is sourced from PubChem (CID 145463478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).