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

C14H21NO2 — CID 62030901

IUPAC1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
SMILESCC(C)N(CCO)CC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)15(8-9-16)11-14(17)10-13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyJLTPSKOUGAZKAQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.50
Rot. Bonds7

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

1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one (PubChem CID 62030901) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
PubChem CID62030901
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
SMILESCC(C)N(CCO)CC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)15(8-9-16)11-14(17)10-13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyJLTPSKOUGAZKAQ-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
CID 43795409
1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
3-[[3-(4-fluorophenyl)-2-oxopropyl]-propan-2-ylamino]propanenitrile
CID 62035070
3-[2-methylpropyl-(2-oxo-3-phenylpropyl)amino]propanenitrile
CID 62051467
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[2-phenylmethoxyethyl(propan-2-yl)amino]ethanol
CID 130537128
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
CID 107507348
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one (CID 62030901) is 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one is CC(C)N(CCO)CC(=O)Cc1ccccc1.
What is the InChIKey of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one?
The InChIKey is JLTPSKOUGAZKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)15(8-9-16)11-14(17)10-13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one?
1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 62030901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).