3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol

C13H18FNO2 — CID 113337855

IUPAC3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
SMILESCc1cc(F)ccc1CNCC1(O)CCOC1
InChIInChI=1S/C13H18FNO2/c1-10-6-12(14)3-2-11(10)7-15-8-13(16)4-5-17-9-13/h2-3,6,15-16H,4-5,7-9H2,1H3
InChIKeyULTIEJQSRPIHNU-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.38
Rot. Bonds4

About 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol

3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 113337855) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
PubChem CID113337855
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
SMILESCc1cc(F)ccc1CNCC1(O)CCOC1
InChIInChI=1S/C13H18FNO2/c1-10-6-12(14)3-2-11(10)7-15-8-13(16)4-5-17-9-13/h2-3,6,15-16H,4-5,7-9H2,1H3
InChIKeyULTIEJQSRPIHNU-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100587
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
3-fluoro-N'-hydroxy-4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzenecarboximidamide
CID 106101839
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100066
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848244
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol (CID 113337855) is 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol is Cc1cc(F)ccc1CNCC1(O)CCOC1.
What is the InChIKey of 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is ULTIEJQSRPIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10-6-12(14)3-2-11(10)7-15-8-13(16)4-5-17-9-13/h2-3,6,15-16H,4-5,7-9H2,1H3.
What are the key properties of 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol?
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 239.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 113337855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).