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

C15H22FNO2 — CID 62645290

IUPAC1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCCO)CCC(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-12(2)17(9-5-11-18)10-8-15(19)13-6-3-4-7-14(13)16/h3-4,6-7,12,18H,5,8-11H2,1-2H3
InChIKeyDFBYRUXHDAPMGI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.49
Rot. Bonds8

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

1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one (PubChem CID 62645290) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
PubChem CID62645290
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCCO)CCC(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-12(2)17(9-5-11-18)10-8-15(19)13-6-3-4-7-14(13)16/h3-4,6-7,12,18H,5,8-11H2,1-2H3
InChIKeyDFBYRUXHDAPMGI-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-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62619704
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
CID 113476348
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 55099387
1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 115996564
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
CID 104552726

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one (CID 62645290) is 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one is CC(C)N(CCCO)CCC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
The InChIKey is DFBYRUXHDAPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(2)17(9-5-11-18)10-8-15(19)13-6-3-4-7-14(13)16/h3-4,6-7,12,18H,5,8-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one?
1-(2-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-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 62645290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).