5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine

C17H21FN2 — CID 87918226

IUPAC5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
SMILESC/C(=N\C1=CC(N(C)C)=CCC1C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-12-5-10-16(20(3)4)11-17(12)19-13(2)14-6-8-15(18)9-7-14/h6-12H,5H2,1-4H3/b19-13+
InChIKeyFXPHGKHPEGAWCG-CPNJWEJPSA-N
MW272.37 g/mol
LogP4.00
Rot. Bonds3

About 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine

5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine (PubChem CID 87918226) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
PubChem CID87918226
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
SMILESC/C(=N\C1=CC(N(C)C)=CCC1C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-12-5-10-16(20(3)4)11-17(12)19-13(2)14-6-8-15(18)9-7-14/h6-12H,5H2,1-4H3/b19-13+
InChIKeyFXPHGKHPEGAWCG-CPNJWEJPSA-N
XLogP4.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-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-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine (CID 87918226) is 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine is C/C(=N\C1=CC(N(C)C)=CCC1C)c1ccc(F)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is FXPHGKHPEGAWCG-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-5-10-16(20(3)4)11-17(12)19-13(2)14-6-8-15(18)9-7-14/h6-12H,5H2,1-4H3/b19-13+.
What are the key properties of 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 272.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 87918226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).