2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol

C9H12FNO2 — CID 84769622

IUPAC2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol
SMILESCc1cc(O)c(F)cc1CN(C)O
InChIInChI=1S/C9H12FNO2/c1-6-3-9(12)8(10)4-7(6)5-11(2)13/h3-4,12-13H,5H2,1-2H3
InChIKeyIGABIEPZVMTEBK-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.66
Rot. Bonds2

About 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol

2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol (PubChem CID 84769622) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol.

Molecular Properties

Compound Name2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol
PubChem CID84769622
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol
SMILESCc1cc(O)c(F)cc1CN(C)O
InChIInChI=1S/C9H12FNO2/c1-6-3-9(12)8(10)4-7(6)5-11(2)13/h3-4,12-13H,5H2,1-2H3
InChIKeyIGABIEPZVMTEBK-UHFFFAOYSA-N
XLogP1.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
2-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
CID 84765888
4-fluoro-2,5-dimethylphenol
CID 22627623
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
3-(5-fluoro-2-hydroxy-4-methylphenyl)propanal
CID 117279085
2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
CID 15906156
4-(diethylaminomethyl)-5-methylbenzene-1,2-diol
CID 23591531
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133504
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol?
The IUPAC name of 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol (CID 84769622) is 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol.
What is the SMILES notation for 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol?
The canonical SMILES for 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol is Cc1cc(O)c(F)cc1CN(C)O.
What is the InChIKey of 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol?
The InChIKey is IGABIEPZVMTEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-6-3-9(12)8(10)4-7(6)5-11(2)13/h3-4,12-13H,5H2,1-2H3.
What are the key properties of 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol?
2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol has a molecular weight of 185.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol is sourced from PubChem (CID 84769622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).