2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine

C16H24FN — CID 58458351

IUPAC2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
SMILESC=C(C(C)C)C(CNC(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-11(2)13(5)16(10-18-12(3)4)14-6-8-15(17)9-7-14/h6-9,11-12,16,18H,5,10H2,1-4H3
InChIKeyHNIWVPQFZQGGLJ-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.12
Rot. Bonds6

About 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine

2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine (PubChem CID 58458351) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
PubChem CID58458351
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
SMILESC=C(C(C)C)C(CNC(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-11(2)13(5)16(10-18-12(3)4)14-6-8-15(17)9-7-14/h6-9,11-12,16,18H,5,10H2,1-4H3
InChIKeyHNIWVPQFZQGGLJ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.12
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

(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458206
2-(4-chlorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458215
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
CID 58458290
2-(4-methylphenyl)-1-N-propan-2-ylbut-3-ene-1,3-diamine
CID 89000384
(2S)-2-(4-bromophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671117
(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine
CID 87141524
1-(4-fluorophenyl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one
CID 165448441
N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62106031
(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671063
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one
CID 71123849

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine (CID 58458351) is 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine is C=C(C(C)C)C(CNC(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
The InChIKey is HNIWVPQFZQGGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(2)13(5)16(10-18-12(3)4)14-6-8-15(17)9-7-14/h6-9,11-12,16,18H,5,10H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 58458351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).