5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine

C13H18FN — CID 79599451

IUPAC5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-11(4-3-9-15-2)10-12-5-7-13(14)8-6-12/h4-8,15H,3,9-10H2,1-2H3
InChIKeyAVTHUQIBECGMCS-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.92
Rot. Bonds5

About 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine

5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine (PubChem CID 79599451) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
PubChem CID79599451
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-11(4-3-9-15-2)10-12-5-7-13(14)8-6-12/h4-8,15H,3,9-10H2,1-2H3
InChIKeyAVTHUQIBECGMCS-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-N,4-dimethylpent-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine (CID 79599451) is 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine is CNCCC=C(C)Cc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine?
The InChIKey is AVTHUQIBECGMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-11(4-3-9-15-2)10-12-5-7-13(14)8-6-12/h4-8,15H,3,9-10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine?
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 79599451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).