3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol

C15H22FNO4 — CID 106100524

IUPAC3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)COCc1ccccc1F
InChIInChI=1S/C15H22FNO4/c16-14-4-2-1-3-12(14)8-21-9-13(18)7-17-10-15(19)5-6-20-11-15/h1-4,13,17-19H,5-11H2
InChIKeyPQKZWNGUNXLQOF-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.44
Rot. Bonds8

About 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol

3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol (PubChem CID 106100524) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
PubChem CID106100524
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)COCc1ccccc1F
InChIInChI=1S/C15H22FNO4/c16-14-4-2-1-3-12(14)8-21-9-13(18)7-17-10-15(19)5-6-20-11-15/h1-4,13,17-19H,5-11H2
InChIKeyPQKZWNGUNXLQOF-UHFFFAOYSA-N
XLogP0.44
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
CID 81133438
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411
3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100739
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol (CID 106100524) is 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol is OC(CNCC1(O)CCOC1)COCc1ccccc1F.
What is the InChIKey of 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The InChIKey is PQKZWNGUNXLQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c16-14-4-2-1-3-12(14)8-21-9-13(18)7-17-10-15(19)5-6-20-11-15/h1-4,13,17-19H,5-11H2.
What are the key properties of 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol has a molecular weight of 299.34 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).