4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine

C16H24FN — CID 79607295

IUPAC4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FN/c1-12(2)11-18-9-5-6-13(3)15-7-8-16(17)14(4)10-15/h6-8,10,12,18H,5,9,11H2,1-4H3
InChIKeyMMDSREQZFYPOLI-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.17
Rot. Bonds6

About 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine

4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79607295) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79607295
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FN/c1-12(2)11-18-9-5-6-13(3)15-7-8-16(17)14(4)10-15/h6-8,10,12,18H,5,9,11H2,1-4H3
InChIKeyMMDSREQZFYPOLI-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluoro-5-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79704136
4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
CID 79607279
(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 107514686
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607300
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
(E)-4-(6-chloro-2,3-difluorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114275301
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 79607295) is 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine is CC(=CCCNCC(C)C)c1ccc(F)c(C)c1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is MMDSREQZFYPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(2)11-18-9-5-6-13(3)15-7-8-16(17)14(4)10-15/h6-8,10,12,18H,5,9,11H2,1-4H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79607295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).