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

C14H21NO2 — CID 46232285

IUPAC3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)15(10-11-16)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyOCHNELUAARVVRE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds7

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

3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one (PubChem CID 46232285) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
PubChem CID46232285
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)15(10-11-16)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyOCHNELUAARVVRE-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one (CID 46232285) is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one is CC(C)N(CCO)CCC(=O)c1ccccc1.
What is the InChIKey of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one?
The InChIKey is OCHNELUAARVVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)15(10-11-16)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one?
3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 46232285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).