4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol

C12H18FNO2 — CID 103948900

IUPAC4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
SMILESCOC(C)(C)CNCc1cc(F)ccc1O
InChIInChI=1S/C12H18FNO2/c1-12(2,16-3)8-14-7-9-6-10(13)4-5-11(9)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyJSQZBWPLSCPISV-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.05
Rot. Bonds5

About 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol

4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol (PubChem CID 103948900) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
PubChem CID103948900
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
SMILESCOC(C)(C)CNCc1cc(F)ccc1O
InChIInChI=1S/C12H18FNO2/c1-12(2,16-3)8-14-7-9-6-10(13)4-5-11(9)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyJSQZBWPLSCPISV-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]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

N,N-bis[2-hydroxybenzyl]amine
CID 230856
2-((Dimethylamino)methyl)phenol
CID 32897
2-(4-Morpholinylmethyl)phenol
CID 225458
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
2-[({2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)methyl]phenol
CID 23647921
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210
2-((Phenethylamino)methyl)phenol
CID 278475
N,N'-Bis-(2-hydroxybenzyl)-hexamethylenediamine
CID 1957305
2-[[3-[(2-Hydroxyphenyl)methylamino]propylamino]methyl]phenol
CID 2283723
2-[2-[(2-Hydroxyphenyl)methylamino]ethyl]phenol
CID 59917207

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol (CID 103948900) is 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol is COC(C)(C)CNCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
The InChIKey is JSQZBWPLSCPISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-12(2,16-3)8-14-7-9-6-10(13)4-5-11(9)15/h4-6,14-15H,7-8H2,1-3H3.
What are the key properties of 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol has a molecular weight of 227.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 103948900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).