2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol

C15H24FNO4 — CID 4834530

IUPAC2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC(O)COCc1ccccc1F
InChIInChI=1S/C15H24FNO4/c1-2-15(10-18,11-19)17-7-13(20)9-21-8-12-5-3-4-6-14(12)16/h3-6,13,17-20H,2,7-11H2,1H3
InChIKeyXMIPQCXAEFIPGS-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.43
Rot. Bonds10

About 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol

2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol (PubChem CID 4834530) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
PubChem CID4834530
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC(O)COCc1ccccc1F
InChIInChI=1S/C15H24FNO4/c1-2-15(10-18,11-19)17-7-13(20)9-21-8-12-5-3-4-6-14(12)16/h3-6,13,17-20H,2,7-11H2,1H3
InChIKeyXMIPQCXAEFIPGS-UHFFFAOYSA-N
XLogP0.43
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 103950075
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
CID 104580081
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 110877386
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol (CID 4834530) is 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol is CCC(CO)(CO)NCC(O)COCc1ccccc1F.
What is the InChIKey of 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol?
The InChIKey is XMIPQCXAEFIPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-2-15(10-18,11-19)17-7-13(20)9-21-8-12-5-3-4-6-14(12)16/h3-6,13,17-20H,2,7-11H2,1H3.
What are the key properties of 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol?
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol has a molecular weight of 301.36 g/mol, XLogP of 0.43, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol is sourced from PubChem (CID 4834530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).