1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone

C12H17NO2 — CID 43795614

IUPAC1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
SMILESCCCN(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-3-8-13(2)9-12(15)10-4-6-11(14)7-5-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyUMENZTVISBBGQB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.92
Rot. Bonds5

About 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone

1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone (PubChem CID 43795614) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
PubChem CID43795614
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
SMILESCCCN(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-3-8-13(2)9-12(15)10-4-6-11(14)7-5-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyUMENZTVISBBGQB-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4'-Hydroxyacetophenone
CID 7469
4'-Hydroxypropiophenone
CID 6271
1-(4-Hydroxyphenyl)-1-nonanone
CID 167093
4-Octanoylphenol
CID 75767
Thalictroidine
CID 10489834
4'-Hydroxyheptanophenone
CID 578426
1-Butanone, 1-(4-hydroxyphenyl)-
CID 66092
4-Acryloylphenol
CID 16036927
1-(4-Methoxyphenyl)-2-piperidin-1-ylethanone;hydrobromide
CID 16196043
1-(3,4-Dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11219249
1-(4-Hydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11311204
1-Propanone, 3-(dimethylamino)-1-(4-hydroxyphenyl)-, hydrochloride (1:1)
CID 200477

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone (CID 43795614) is 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone is CCCN(C)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone?
The InChIKey is UMENZTVISBBGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-8-13(2)9-12(15)10-4-6-11(14)7-5-10/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone?
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone is sourced from PubChem (CID 43795614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).