1-[benzyl(2-hydroxyethyl)amino]propan-2-one

C12H17NO2 — CID 20674857

IUPAC1-[benzyl(2-hydroxyethyl)amino]propan-2-one
SMILESCC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-11(15)9-13(7-8-14)10-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3
InChIKeyYBYNMMMZMXOVMO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.07
Rot. Bonds6

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

1-[benzyl(2-hydroxyethyl)amino]propan-2-one (PubChem CID 20674857) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[benzyl(2-hydroxyethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[benzyl(2-hydroxyethyl)amino]propan-2-one
PubChem CID20674857
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[benzyl(2-hydroxyethyl)amino]propan-2-one
SMILESCC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-11(15)9-13(7-8-14)10-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3
InChIKeyYBYNMMMZMXOVMO-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate
CID 91060216
2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
CID 62115476
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
2-[benzyl(nonyl)amino]ethanol
CID 63469962

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(2-hydroxyethyl)amino]propan-2-one?
The IUPAC name of 1-[benzyl(2-hydroxyethyl)amino]propan-2-one (CID 20674857) is 1-[benzyl(2-hydroxyethyl)amino]propan-2-one.
What is the SMILES notation for 1-[benzyl(2-hydroxyethyl)amino]propan-2-one?
The canonical SMILES for 1-[benzyl(2-hydroxyethyl)amino]propan-2-one is CC(=O)CN(CCO)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(2-hydroxyethyl)amino]propan-2-one?
The InChIKey is YBYNMMMZMXOVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-11(15)9-13(7-8-14)10-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3.
What are the key properties of 1-[benzyl(2-hydroxyethyl)amino]propan-2-one?
1-[benzyl(2-hydroxyethyl)amino]propan-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.07, 6 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]propan-2-one is sourced from PubChem (CID 20674857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).