4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol

C15H15ClFNO — CID 107685294

IUPAC4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
SMILESOc1ccc(CNCCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO/c16-13-4-1-11(2-5-13)7-8-18-10-12-3-6-15(19)14(17)9-12/h1-6,9,18-19H,7-8,10H2
InChIKeyUZGUKUFMBKUZDB-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.52
Rot. Bonds5

About 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol

4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol (PubChem CID 107685294) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
PubChem CID107685294
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
SMILESOc1ccc(CNCCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO/c16-13-4-1-11(2-5-13)7-8-18-10-12-3-6-15(19)14(17)9-12/h1-6,9,18-19H,7-8,10H2
InChIKeyUZGUKUFMBKUZDB-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol 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

N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 107685868
4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
2-fluoro-4-[2-(propylamino)ethyl]phenol
CID 107693740
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 60687979
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol (CID 107685294) is 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol is Oc1ccc(CNCCc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol?
The InChIKey is UZGUKUFMBKUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-4-1-11(2-5-13)7-8-18-10-12-3-6-15(19)14(17)9-12/h1-6,9,18-19H,7-8,10H2.
What are the key properties of 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol?
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol has a molecular weight of 279.74 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol is sourced from PubChem (CID 107685294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).