5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol

C15H16FNO2 — CID 55146491

IUPAC5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
SMILESCOc1cccc(NC(C)c2ccc(F)cc2O)c1
InChIInChI=1S/C15H16FNO2/c1-10(14-7-6-11(16)8-15(14)18)17-12-4-3-5-13(9-12)19-2/h3-10,17-18H,1-2H3
InChIKeyZGHBPIYVAHRLJA-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.71
Rot. Bonds4

About 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol

5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol (PubChem CID 55146491) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
PubChem CID55146491
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
SMILESCOc1cccc(NC(C)c2ccc(F)cc2O)c1
InChIInChI=1S/C15H16FNO2/c1-10(14-7-6-11(16)8-15(14)18)17-12-4-3-5-13(9-12)19-2/h3-10,17-18H,1-2H3
InChIKeyZGHBPIYVAHRLJA-UHFFFAOYSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol 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-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
2-[1-(3-ethynylanilino)ethyl]-5-methoxyphenol
CID 43200553
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
CID 61076797
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
CID 43765572
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol (CID 55146491) is 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol is COc1cccc(NC(C)c2ccc(F)cc2O)c1.
What is the InChIKey of 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol?
The InChIKey is ZGHBPIYVAHRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(14-7-6-11(16)8-15(14)18)17-12-4-3-5-13(9-12)19-2/h3-10,17-18H,1-2H3.
What are the key properties of 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol?
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol has a molecular weight of 261.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol is sourced from PubChem (CID 55146491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).