2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine

C11H19NO3 — CID 130373301

IUPAC2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine
SMILESCOCCOC1=CC=CC(OCCN)C1
InChIInChI=1S/C11H19NO3/c1-13-7-8-15-11-4-2-3-10(9-11)14-6-5-12/h2-4,10H,5-9,12H2,1H3
InChIKeyYJGIBHLXIHVMAZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.84
Rot. Bonds7

About 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine

2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine (PubChem CID 130373301) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine.

Molecular Properties

Compound Name2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine
PubChem CID130373301
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine
SMILESCOCCOC1=CC=CC(OCCN)C1
InChIInChI=1S/C11H19NO3/c1-13-7-8-15-11-4-2-3-10(9-11)14-6-5-12/h2-4,10H,5-9,12H2,1H3
InChIKeyYJGIBHLXIHVMAZ-UHFFFAOYSA-N
XLogP0.84
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine?
The IUPAC name of 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine (CID 130373301) is 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine.
What is the SMILES notation for 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine?
The canonical SMILES for 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine is COCCOC1=CC=CC(OCCN)C1.
What is the InChIKey of 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine?
The InChIKey is YJGIBHLXIHVMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-13-7-8-15-11-4-2-3-10(9-11)14-6-5-12/h2-4,10H,5-9,12H2,1H3.
What are the key properties of 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine?
2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine is sourced from PubChem (CID 130373301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).