1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one

C15H22FNO3 — CID 20561425

IUPAC1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H22FNO3/c1-4-14(19)13-7-11(16)5-6-15(13)20-9-12(18)8-17-10(2)3/h5-7,10,12,17-18H,4,8-9H2,1-3H3
InChIKeyLMJHVOXJJPOFOP-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.16
Rot. Bonds8

About 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one

1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one (PubChem CID 20561425) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
PubChem CID20561425
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H22FNO3/c1-4-14(19)13-7-11(16)5-6-15(13)20-9-12(18)8-17-10(2)3/h5-7,10,12,17-18H,4,8-9H2,1-3H3
InChIKeyLMJHVOXJJPOFOP-UHFFFAOYSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-amino-2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 125483290
1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 165343405
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
1-[2-(3-chloro-2-hydroxypropoxy)-5-fluorophenyl]ethanone
CID 112560860
1-[3-(heptoxymethyl)-4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 97301213
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-(2-tert-butyl-4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 22419817
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one
CID 57109487
3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
CID 14853026
(4-fluoro-2-propanoylphenyl) ethaneperoxoate
CID 175011166

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one?
The IUPAC name of 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one (CID 20561425) is 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one is CCC(=O)c1cc(F)ccc1OCC(O)CNC(C)C.
What is the InChIKey of 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one?
The InChIKey is LMJHVOXJJPOFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-14(19)13-7-11(16)5-6-15(13)20-9-12(18)8-17-10(2)3/h5-7,10,12,17-18H,4,8-9H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one?
1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one has a molecular weight of 283.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one is sourced from PubChem (CID 20561425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).