1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone

C13H19NO2 — CID 2456565

IUPAC1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone
SMILESCCN(CC)Cc1cc(C(C)=O)ccc1O
InChIInChI=1S/C13H19NO2/c1-4-14(5-2)9-12-8-11(10(3)15)6-7-13(12)16/h6-8,16H,4-5,9H2,1-3H3
InChIKeyWAEQXRCDSKZJNU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds5

About 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone

1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone (PubChem CID 2456565) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone
PubChem CID2456565
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone
SMILESCCN(CC)Cc1cc(C(C)=O)ccc1O
InChIInChI=1S/C13H19NO2/c1-4-14(5-2)9-12-8-11(10(3)15)6-7-13(12)16/h6-8,16H,4-5,9H2,1-3H3
InChIKeyWAEQXRCDSKZJNU-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone (CID 2456565) is 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone is CCN(CC)Cc1cc(C(C)=O)ccc1O.
What is the InChIKey of 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone?
The InChIKey is WAEQXRCDSKZJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14(5-2)9-12-8-11(10(3)15)6-7-13(12)16/h6-8,16H,4-5,9H2,1-3H3.
What are the key properties of 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone?
1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 2456565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).