2-(3,5-dimethylphenoxy)-N,N-diethylethanamine

C14H23NO — CID 867277

IUPAC2-(3,5-dimethylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-5-15(6-2)7-8-16-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3
InChIKeyVRLTZDTVIKQLEC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine

2-(3,5-dimethylphenoxy)-N,N-diethylethanamine (PubChem CID 867277) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N,N-diethylethanamine
PubChem CID867277
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3,5-dimethylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-5-15(6-2)7-8-16-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3
InChIKeyVRLTZDTVIKQLEC-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine 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

Phenyltoloxamine
CID 7077
Tesmilifene
CID 108092
Stilonium Iodide
CID 6433339
Etoloxamine
CID 68950
2-(Biphenyl-2-yloxy)-N,N-dimethylethanamine
CID 888197
4-[3-(2,6-Dimethyl-phenoxy)-propyl]-morpholine
CID 24761453
4-[2-(2,3-Dimethylphenoxy)ethyl]morpholine
CID 867229
4-[2-(3,4-Dimethylphenoxy)ethyl]morpholine
CID 867368
1-[2-(2,6-Dimethylphenoxy)ethyl]pyrrolidine
CID 868345
4-[2-(3,5-Dimethylphenoxy)ethyl]morpholine
CID 868438
1-[2-(3-Isopropylphenoxy)ethyl]pyrrolidine
CID 869541
4-[3-(2,3-Dimethylphenoxy)propyl]morpholine
CID 2057362

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine (CID 867277) is 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine is CCN(CC)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine?
The InChIKey is VRLTZDTVIKQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15(6-2)7-8-16-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine?
2-(3,5-dimethylphenoxy)-N,N-diethylethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N,N-diethylethanamine is sourced from PubChem (CID 867277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).