N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine

C15H20FN — CID 65353248

IUPACN-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2)CC=CC1
InChIInChI=1S/C15H20FN/c1-12(2)17-11-15(9-3-4-10-15)13-5-7-14(16)8-6-13/h3-8,12,17H,9-11H2,1-2H3
InChIKeyBQGCWIUDIZUNHU-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.41
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine

N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine (PubChem CID 65353248) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine
PubChem CID65353248
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2)CC=CC1
InChIInChI=1S/C15H20FN/c1-12(2)17-11-15(9-3-4-10-15)13-5-7-14(16)8-6-13/h3-8,12,17H,9-11H2,1-2H3
InChIKeyBQGCWIUDIZUNHU-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-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 N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine (CID 65353248) is N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine is CC(C)NCC1(c2ccc(F)cc2)CC=CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine?
The InChIKey is BQGCWIUDIZUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-12(2)17-11-15(9-3-4-10-15)13-5-7-14(16)8-6-13/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine?
N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine has a molecular weight of 233.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 65353248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).