2-[(2-ethoxyethylamino)methyl]-6-fluorophenol

C11H16FNO2 — CID 112606435

IUPAC2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
SMILESCCOCCNCc1cccc(F)c1O
InChIInChI=1S/C11H16FNO2/c1-2-15-7-6-13-8-9-4-3-5-10(12)11(9)14/h3-5,13-14H,2,6-8H2,1H3
InChIKeyBUIAJCYDOOQYMX-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.66
Rot. Bonds6

About 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol

2-[(2-ethoxyethylamino)methyl]-6-fluorophenol (PubChem CID 112606435) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
PubChem CID112606435
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
SMILESCCOCCNCc1cccc(F)c1O
InChIInChI=1S/C11H16FNO2/c1-2-15-7-6-13-8-9-4-3-5-10(12)11(9)14/h3-5,13-14H,2,6-8H2,1H3
InChIKeyBUIAJCYDOOQYMX-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl carbamate
CID 112607237
3-[(3-ethoxypropylamino)methyl]benzene-1,2-diol
CID 61319480
2-fluoro-6-[(2-phenylsulfanylethylamino)methyl]phenol
CID 112606611
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
CID 60956458
2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol
CID 103948161
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine
CID 43590720
3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115972838
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzene-1,2-diol
CID 113357946

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol?
The IUPAC name of 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol (CID 112606435) is 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol.
What is the SMILES notation for 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol?
The canonical SMILES for 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol is CCOCCNCc1cccc(F)c1O.
What is the InChIKey of 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol?
The InChIKey is BUIAJCYDOOQYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-2-15-7-6-13-8-9-4-3-5-10(12)11(9)14/h3-5,13-14H,2,6-8H2,1H3.
What are the key properties of 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol?
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol has a molecular weight of 213.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyethylamino)methyl]-6-fluorophenol is sourced from PubChem (CID 112606435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).