2-[(4-fluoro-2-methoxyanilino)methyl]phenol

C14H14FNO2 — CID 54968351

IUPAC2-[(4-fluoro-2-methoxyanilino)methyl]phenol
SMILESCOc1cc(F)ccc1NCc1ccccc1O
InChIInChI=1S/C14H14FNO2/c1-18-14-8-11(15)6-7-12(14)16-9-10-4-2-3-5-13(10)17/h2-8,16-17H,9H2,1H3
InChIKeyDANYKXMWEGCMMQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.15
Rot. Bonds4

About 2-[(4-fluoro-2-methoxyanilino)methyl]phenol

2-[(4-fluoro-2-methoxyanilino)methyl]phenol (PubChem CID 54968351) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(4-fluoro-2-methoxyanilino)methyl]phenol
PubChem CID54968351
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-[(4-fluoro-2-methoxyanilino)methyl]phenol
SMILESCOc1cc(F)ccc1NCc1ccccc1O
InChIInChI=1S/C14H14FNO2/c1-18-14-8-11(15)6-7-12(14)16-9-10-4-2-3-5-13(10)17/h2-8,16-17H,9H2,1H3
InChIKeyDANYKXMWEGCMMQ-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-fluoro-2-methoxyanilino)methyl]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

4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoro-2-methoxyaniline
CID 61036848
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
4-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315130
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
5-fluoro-2-[(2-hydroxy-3-methoxyphenyl)methylamino]benzonitrile
CID 82015186

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methoxyanilino)methyl]phenol?
The IUPAC name of 2-[(4-fluoro-2-methoxyanilino)methyl]phenol (CID 54968351) is 2-[(4-fluoro-2-methoxyanilino)methyl]phenol.
What is the SMILES notation for 2-[(4-fluoro-2-methoxyanilino)methyl]phenol?
The canonical SMILES for 2-[(4-fluoro-2-methoxyanilino)methyl]phenol is COc1cc(F)ccc1NCc1ccccc1O.
What is the InChIKey of 2-[(4-fluoro-2-methoxyanilino)methyl]phenol?
The InChIKey is DANYKXMWEGCMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-18-14-8-11(15)6-7-12(14)16-9-10-4-2-3-5-13(10)17/h2-8,16-17H,9H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methoxyanilino)methyl]phenol?
2-[(4-fluoro-2-methoxyanilino)methyl]phenol has a molecular weight of 247.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methoxyanilino)methyl]phenol is sourced from PubChem (CID 54968351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).