2-(2-ethylhexoxy)ethanamine

C10H23NO — CID 18672806

IUPAC2-(2-ethylhexoxy)ethanamine
SMILESCCCCC(CC)COCCN
InChIInChI=1S/C10H23NO/c1-3-5-6-10(4-2)9-12-8-7-11/h10H,3-9,11H2,1-2H3
InChIKeyLHSNBQUSZJADQH-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds8

About 2-(2-ethylhexoxy)ethanamine

2-(2-ethylhexoxy)ethanamine (PubChem CID 18672806) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)ethanamine.

Molecular Properties

Compound Name2-(2-ethylhexoxy)ethanamine
PubChem CID18672806
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-(2-ethylhexoxy)ethanamine
SMILESCCCCC(CC)COCCN
InChIInChI=1S/C10H23NO/c1-3-5-6-10(4-2)9-12-8-7-11/h10H,3-9,11H2,1-2H3
InChIKeyLHSNBQUSZJADQH-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethylhexoxy)ethanamine 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-(2-ethylhexoxy)ethanamine?
The IUPAC name of 2-(2-ethylhexoxy)ethanamine (CID 18672806) is 2-(2-ethylhexoxy)ethanamine.
What is the SMILES notation for 2-(2-ethylhexoxy)ethanamine?
The canonical SMILES for 2-(2-ethylhexoxy)ethanamine is CCCCC(CC)COCCN.
What is the InChIKey of 2-(2-ethylhexoxy)ethanamine?
The InChIKey is LHSNBQUSZJADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-5-6-10(4-2)9-12-8-7-11/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxy)ethanamine?
2-(2-ethylhexoxy)ethanamine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)ethanamine is sourced from PubChem (CID 18672806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).