1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one

C15H22FNO2 — CID 62031112

IUPAC1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCCO)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-12(2)17(9-3-11-18)10-8-15(19)13-4-6-14(16)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyRIZSECOVRDMPKI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.49
Rot. Bonds8

About 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one

1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one (PubChem CID 62031112) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
PubChem CID62031112
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCCO)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-12(2)17(9-3-11-18)10-8-15(19)13-4-6-14(16)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyRIZSECOVRDMPKI-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 63484274
3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol
CID 62016181
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62030728
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 62613655

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one (CID 62031112) is 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one is CC(C)N(CCCO)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
The InChIKey is RIZSECOVRDMPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(2)17(9-3-11-18)10-8-15(19)13-4-6-14(16)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one has a molecular weight of 267.34 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 62031112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).