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

C18H21NO2 — CID 46232284

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c20-14-13-19(15-16-7-3-1-4-8-16)12-11-18(21)17-9-5-2-6-10-17/h1-10,20H,11-15H2
InChIKeyMXISMFPTXUXRGU-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.75
Rot. Bonds8

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

3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one (PubChem CID 46232284) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one
PubChem CID46232284
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c20-14-13-19(15-16-7-3-1-4-8-16)12-11-18(21)17-9-5-2-6-10-17/h1-10,20H,11-15H2
InChIKeyMXISMFPTXUXRGU-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one (CID 46232284) is 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one is O=C(CCN(CCO)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
The InChIKey is MXISMFPTXUXRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-14-13-19(15-16-7-3-1-4-8-16)12-11-18(21)17-9-5-2-6-10-17/h1-10,20H,11-15H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one?
3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 46232284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).