1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one

C19H22FNO3 — CID 3891739

IUPAC1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-2-19(23)15-5-9-18(10-6-15)24-13-17(22)12-21-11-14-3-7-16(20)8-4-14/h3-10,17,21-22H,2,11-13H2,1H3
InChIKeyQJVMOEWDJLPCHR-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.95
Rot. Bonds9

About 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one

1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 3891739) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID3891739
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-2-19(23)15-5-9-18(10-6-15)24-13-17(22)12-21-11-14-3-7-16(20)8-4-14/h3-10,17,21-22H,2,11-13H2,1H3
InChIKeyQJVMOEWDJLPCHR-UHFFFAOYSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one (CID 3891739) is 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)CNCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is QJVMOEWDJLPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-2-19(23)15-5-9-18(10-6-15)24-13-17(22)12-21-11-14-3-7-16(20)8-4-14/h3-10,17,21-22H,2,11-13H2,1H3.
What are the key properties of 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 3891739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).