2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine

C12H19NO — CID 172975734

IUPAC2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine
SMILESCCN(CC)CCOC1=CC=C=CC1
InChIInChI=1S/C12H19NO/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12/h6-8H,3-4,9-11H2,1-2H3
InChIKeyDCUJBEACHPRGNF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.34
Rot. Bonds6

About 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine

2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine (PubChem CID 172975734) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine
PubChem CID172975734
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine
SMILESCCN(CC)CCOC1=CC=C=CC1
InChIInChI=1S/C12H19NO/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12/h6-8H,3-4,9-11H2,1-2H3
InChIKeyDCUJBEACHPRGNF-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-1,3,4-trien-1-yloxy-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine?
The IUPAC name of 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine (CID 172975734) is 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine.
What is the SMILES notation for 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine?
The canonical SMILES for 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine is CCN(CC)CCOC1=CC=C=CC1.
What is the InChIKey of 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine?
The InChIKey is DCUJBEACHPRGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12/h6-8H,3-4,9-11H2,1-2H3.
What are the key properties of 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine?
2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine is sourced from PubChem (CID 172975734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).