2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol

C12H16FNO2 — CID 112606580

IUPAC2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
SMILESOc1c(F)cccc1CNCC1CCOC1
InChIInChI=1S/C12H16FNO2/c13-11-3-1-2-10(12(11)15)7-14-6-9-4-5-16-8-9/h1-3,9,14-15H,4-8H2
InChIKeySSEJAODCAQIUBS-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.66
Rot. Bonds4

About 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol

2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol (PubChem CID 112606580) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
PubChem CID112606580
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
SMILESOc1c(F)cccc1CNCC1CCOC1
InChIInChI=1S/C12H16FNO2/c13-11-3-1-2-10(12(11)15)7-14-6-9-4-5-16-8-9/h1-3,9,14-15H,4-8H2
InChIKeySSEJAODCAQIUBS-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
2-bromo-6-[(oxan-3-ylmethylamino)methyl]phenol
CID 61392158
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
3-fluoro-4-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107796628
N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol (CID 112606580) is 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol is Oc1c(F)cccc1CNCC1CCOC1.
What is the InChIKey of 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
The InChIKey is SSEJAODCAQIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-3-1-2-10(12(11)15)7-14-6-9-4-5-16-8-9/h1-3,9,14-15H,4-8H2.
What are the key properties of 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol has a molecular weight of 225.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol is sourced from PubChem (CID 112606580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).