2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol

C16H18FNO — CID 103948313

IUPAC2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
SMILESCCc1ccc(CNCc2cccc(F)c2O)cc1
InChIInChI=1S/C16H18FNO/c1-2-12-6-8-13(9-7-12)10-18-11-14-4-3-5-15(17)16(14)19/h3-9,18-19H,2,10-11H2,1H3
InChIKeyYVQWXFXBFYSYFT-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.38
Rot. Bonds5

About 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol

2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol (PubChem CID 103948313) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
PubChem CID103948313
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
SMILESCCc1ccc(CNCc2cccc(F)c2O)cc1
InChIInChI=1S/C16H18FNO/c1-2-12-6-8-13(9-7-12)10-18-11-14-4-3-5-15(17)16(14)19/h3-9,18-19H,2,10-11H2,1H3
InChIKeyYVQWXFXBFYSYFT-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(4-ethylphenyl)methylamino]methyl]-6-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

4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 112606585
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]-6-fluorophenol
CID 115950991
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
2-fluoro-6-[[(4-methylthiophen-3-yl)methylamino]methyl]phenol
CID 112607074
2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
CID 103948931
2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
CID 112606725
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
2-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]-6-fluorophenol
CID 103948928
2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
CID 112606678
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol (CID 103948313) is 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol is CCc1ccc(CNCc2cccc(F)c2O)cc1.
What is the InChIKey of 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol?
The InChIKey is YVQWXFXBFYSYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-12-6-8-13(9-7-12)10-18-11-14-4-3-5-15(17)16(14)19/h3-9,18-19H,2,10-11H2,1H3.
What are the key properties of 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol?
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol has a molecular weight of 259.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol is sourced from PubChem (CID 103948313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).