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

C14H21NO2 — CID 79395191

IUPAC1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)14(17)11-15(8-9-16)10-13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyOAZOPKLWENNCCH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds7

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

1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one (PubChem CID 79395191) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
PubChem CID79395191
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)14(17)11-15(8-9-16)10-13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyOAZOPKLWENNCCH-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate
CID 91060216
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
1-[benzyl(1H-pyrrol-2-ylmethyl)amino]-3-methylbutan-2-one
CID 176995296
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
CID 62115476
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
CID 170711377
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one (CID 79395191) is 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one is CC(C)C(=O)CN(CCO)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The InChIKey is OAZOPKLWENNCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)14(17)11-15(8-9-16)10-13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3.
What are the key properties of 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 79395191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).