2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol

C15H25NO4 — CID 21301195

IUPAC2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol
SMILESCc1ccc(N(CCOCCO)CCOCCO)cc1
InChIInChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)16(6-10-19-12-8-17)7-11-20-13-9-18/h2-5,17-18H,6-13H2,1H3
InChIKeyVRPLWSUMHMEHPT-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.82
Rot. Bonds11

About 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol

2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol (PubChem CID 21301195) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol
PubChem CID21301195
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol
SMILESCc1ccc(N(CCOCCO)CCOCCO)cc1
InChIInChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)16(6-10-19-12-8-17)7-11-20-13-9-18/h2-5,17-18H,6-13H2,1H3
InChIKeyVRPLWSUMHMEHPT-UHFFFAOYSA-N
XLogP0.82
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol 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-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol?
The IUPAC name of 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol (CID 21301195) is 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol is Cc1ccc(N(CCOCCO)CCOCCO)cc1.
What is the InChIKey of 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol?
The InChIKey is VRPLWSUMHMEHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)16(6-10-19-12-8-17)7-11-20-13-9-18/h2-5,17-18H,6-13H2,1H3.
What are the key properties of 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol?
2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol has a molecular weight of 283.37 g/mol, XLogP of 0.82, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol is sourced from PubChem (CID 21301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).