1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one

C15H22FNO3 — CID 57109487

IUPAC1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one
SMILESCC(C)NCC(O)COC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-10(2)17-8-14(18)9-20-11(3)15(19)12-5-4-6-13(16)7-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3
InChIKeyAFYIHCRQCXPYJN-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.77
Rot. Bonds8

About 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one

1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one (PubChem CID 57109487) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one
PubChem CID57109487
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one
SMILESCC(C)NCC(O)COC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-10(2)17-8-14(18)9-20-11(3)15(19)12-5-4-6-13(16)7-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3
InChIKeyAFYIHCRQCXPYJN-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]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-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 115477152
1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione
CID 122383158
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 20561425
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
3-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]but-2-enamide
CID 111697749
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
CID 102028983
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
1-(4-fluorophenyl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one
CID 165448441
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 95904870

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one (CID 57109487) is 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one is CC(C)NCC(O)COC(C)C(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one?
The InChIKey is AFYIHCRQCXPYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10(2)17-8-14(18)9-20-11(3)15(19)12-5-4-6-13(16)7-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one?
1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one has a molecular weight of 283.34 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one is sourced from PubChem (CID 57109487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).