N,N-Diethyl-m-phenetidine

C12H19NO — CID 74625

IUPAC3-ethoxy-N,N-diethylaniline
SMILESCCN(CC)C1=CC(=CC=C1)OCC
InChIInChI=1S/C12H19NO/c1-4-13(5-2)11-8-7-9-12(10-11)14-6-3/h7-10H,4-6H2,1-3H3
InChIKeyODQSBWZDOSNPAH-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.10
Rot. Bonds5

About N,N-Diethyl-m-phenetidine

N,N-Diethyl-m-phenetidine (PubChem CID 74625) has the molecular formula C12H19NO and a molecular weight of 193.28 g/mol. Its IUPAC name is 3-ethoxy-N,N-diethylaniline.

Molecular Properties

Compound NameN,N-Diethyl-m-phenetidine
PubChem CID74625
Molecular FormulaC12H19NO
Molecular Weight193.28 g/mol
Exact Mass193.15
IUPAC Name3-ethoxy-N,N-diethylaniline
SMILESCCN(CC)C1=CC(=CC=C1)OCC
InChIInChI=1S/C12H19NO/c1-4-13(5-2)11-8-7-9-12(10-11)14-6-3/h7-10H,4-6H2,1-3H3
InChIKeyODQSBWZDOSNPAH-UHFFFAOYSA-N
XLogP3.10
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-Diethyl-m-phenetidine 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 N,N-Diethyl-m-phenetidine?
The IUPAC name of N,N-Diethyl-m-phenetidine (CID 74625) is 3-ethoxy-N,N-diethylaniline.
What is the SMILES notation for N,N-Diethyl-m-phenetidine?
The canonical SMILES for N,N-Diethyl-m-phenetidine is CCN(CC)C1=CC(=CC=C1)OCC.
What is the InChIKey of N,N-Diethyl-m-phenetidine?
The InChIKey is ODQSBWZDOSNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-13(5-2)11-8-7-9-12(10-11)14-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of N,N-Diethyl-m-phenetidine?
N,N-Diethyl-m-phenetidine has a molecular weight of 193.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Diethyl-m-phenetidine is sourced from PubChem (CID 74625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).