2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol

C12H16FNO2 — CID 107685861

IUPAC2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol
SMILESCC1(CNCc2ccc(O)c(F)c2)COC1
InChIInChI=1S/C12H16FNO2/c1-12(7-16-8-12)6-14-5-9-2-3-11(15)10(13)4-9/h2-4,14-15H,5-8H2,1H3
InChIKeyLSEHNUVUJDVFIO-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.66
Rot. Bonds4

About 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol

2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol (PubChem CID 107685861) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol
PubChem CID107685861
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol
SMILESCC1(CNCc2ccc(O)c(F)c2)COC1
InChIInChI=1S/C12H16FNO2/c1-12(7-16-8-12)6-14-5-9-2-3-11(15)10(13)4-9/h2-4,14-15H,5-8H2,1H3
InChIKeyLSEHNUVUJDVFIO-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

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Related Compounds

2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957879
2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
CID 103874812
1-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957485
N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 78957539
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
3-[[(3,4-difluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247986
[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol
CID 109396406

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol (CID 107685861) is 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol is CC1(CNCc2ccc(O)c(F)c2)COC1.
What is the InChIKey of 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol?
The InChIKey is LSEHNUVUJDVFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(7-16-8-12)6-14-5-9-2-3-11(15)10(13)4-9/h2-4,14-15H,5-8H2,1H3.
What are the key properties of 2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol?
2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]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-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 107685861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).