4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine

C16H24FN — CID 58458290

IUPAC4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
SMILESC=C(C(C)C)C(CC(C)(C)N)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-11(2)12(3)15(10-16(4,5)18)13-6-8-14(17)9-7-13/h6-9,11,15H,3,10,18H2,1-2,4-5H3
InChIKeyWNGWUMZOYDFIOF-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.25
Rot. Bonds5

About 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine

4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine (PubChem CID 58458290) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
PubChem CID58458290
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
SMILESC=C(C(C)C)C(CC(C)(C)N)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-11(2)12(3)15(10-16(4,5)18)13-6-8-14(17)9-7-13/h6-9,11,15H,3,10,18H2,1-2,4-5H3
InChIKeyWNGWUMZOYDFIOF-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
CID 58458143
4-(4-fluorophenyl)-2-methylpentan-2-amine
CID 83907847
2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458351
2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151716551
3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 65269320
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
5-amino-3-(4-fluorophenyl)hexan-2-one;ethane
CID 143606872
5-amino-3-(3-fluoro-4-iodophenyl)-5-methylhexan-2-one
CID 70821781
[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
CID 68602940
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine (CID 58458290) is 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine is C=C(C(C)C)C(CC(C)(C)N)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
The InChIKey is WNGWUMZOYDFIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(2)12(3)15(10-16(4,5)18)13-6-8-14(17)9-7-13/h6-9,11,15H,3,10,18H2,1-2,4-5H3.
What are the key properties of 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine has a molecular weight of 249.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine is sourced from PubChem (CID 58458290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).