(4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium

C15H16ClFN+ — CID 8898278

IUPAC(4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium
SMILESFc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClFN/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2/p+1
InChIKeyCLFSLFZXGQPRIG-UHFFFAOYSA-O
MW264.75 g/mol
LogP2.79
Rot. Bonds5

About (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium

(4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium (PubChem CID 8898278) has the molecular formula C15H16ClFN+ and a molecular weight of 264.75 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium
PubChem CID8898278
Molecular FormulaC15H16ClFN+
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name(4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium
SMILESFc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClFN/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2/p+1
InChIKeyCLFSLFZXGQPRIG-UHFFFAOYSA-O
XLogP2.79
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium 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

2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium
CID 7320387
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 2163692
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
CID 8622181
(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
CID 7827919
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
CID 139652969
1-fluoro-4-propylbenzene
CID 2737505
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium (CID 8898278) is (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium is Fc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
The InChIKey is CLFSLFZXGQPRIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15ClFN/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2/p+1.
What are the key properties of (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
(4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium has a molecular weight of 264.75 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium is sourced from PubChem (CID 8898278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).