2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline

C19H20FN3 — CID 134691748

IUPAC2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline
SMILESCc1cn(CCCNc2ccccc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C19H20FN3/c1-15-13-23(14-22-15)12-4-11-21-19-6-3-2-5-18(19)16-7-9-17(20)10-8-16/h2-3,5-10,13-14,21H,4,11-12H2,1H3
InChIKeyGKLQJZRXGKCXRX-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.50
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline

2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline (PubChem CID 134691748) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline
PubChem CID134691748
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline
SMILESCc1cn(CCCNc2ccccc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C19H20FN3/c1-15-13-23(14-22-15)12-4-11-21-19-6-3-2-5-18(19)16-7-9-17(20)10-8-16/h2-3,5-10,13-14,21H,4,11-12H2,1H3
InChIKeyGKLQJZRXGKCXRX-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline 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 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline (CID 134691748) is 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline is Cc1cn(CCCNc2ccccc2-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline?
The InChIKey is GKLQJZRXGKCXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-15-13-23(14-22-15)12-4-11-21-19-6-3-2-5-18(19)16-7-9-17(20)10-8-16/h2-3,5-10,13-14,21H,4,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline?
2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline has a molecular weight of 309.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(4-methylimidazol-1-yl)propyl]aniline is sourced from PubChem (CID 134691748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).