4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol

C13H18FNO2 — CID 103948092

IUPAC4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESOc1ccc(F)cc1CNCCC1CCCO1
InChIInChI=1S/C13H18FNO2/c14-11-3-4-13(16)10(8-11)9-15-6-5-12-2-1-7-17-12/h3-4,8,12,15-16H,1-2,5-7,9H2
InChIKeyNZVLHSKCHJGHPH-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.19
Rot. Bonds5

About 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol

4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol (PubChem CID 103948092) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
PubChem CID103948092
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESOc1ccc(F)cc1CNCCC1CCCO1
InChIInChI=1S/C13H18FNO2/c14-11-3-4-13(16)10(8-11)9-15-6-5-12-2-1-7-17-12/h3-4,8,12,15-16H,1-2,5-7,9H2
InChIKeyNZVLHSKCHJGHPH-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.19
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

N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
N-[(2-bromo-4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766476
4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
CID 103993059
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
CID 107694453
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
CID 95592451
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
3-fluoro-N'-hydroxy-4-[[2-(oxolan-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77031208

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol (CID 103948092) is 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol is Oc1ccc(F)cc1CNCCC1CCCO1.
What is the InChIKey of 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The InChIKey is NZVLHSKCHJGHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-3-4-13(16)10(8-11)9-15-6-5-12-2-1-7-17-12/h3-4,8,12,15-16H,1-2,5-7,9H2.
What are the key properties of 4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 2.19, 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-(oxolan-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 103948092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).