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

C14H20FNO2 — CID 62031287

IUPAC1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
SMILESCC(C)N(CCO)CC(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-11(2)16(7-8-17)10-13(18)9-12-5-3-4-6-14(12)15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyKGSZNEJQFSQOOK-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.64
Rot. Bonds7

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

1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one (PubChem CID 62031287) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
PubChem CID62031287
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
SMILESCC(C)N(CCO)CC(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-11(2)16(7-8-17)10-13(18)9-12-5-3-4-6-14(12)15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyKGSZNEJQFSQOOK-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
CID 82951174
1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
CID 62030901
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
CID 43795409
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
1-(2-fluorophenyl)-6-methylheptane-2,4-dione
CID 58474750
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one (CID 62031287) is 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one is CC(C)N(CCO)CC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one?
The InChIKey is KGSZNEJQFSQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(2)16(7-8-17)10-13(18)9-12-5-3-4-6-14(12)15/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one?
1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one has a molecular weight of 253.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one is sourced from PubChem (CID 62031287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).