2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol

C11H18N2O3 — CID 21264871

IUPAC2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol
SMILESCOc1ccc(N)cc1N(CCO)CCO
InChIInChI=1S/C11H18N2O3/c1-16-11-3-2-9(12)8-10(11)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3
InChIKeyXQLSOIDBDQGCNO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.07
Rot. Bonds6

About 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol

2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol (PubChem CID 21264871) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol.

Molecular Properties

Compound Name2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol
PubChem CID21264871
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol
SMILESCOc1ccc(N)cc1N(CCO)CCO
InChIInChI=1S/C11H18N2O3/c1-16-11-3-2-9(12)8-10(11)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3
InChIKeyXQLSOIDBDQGCNO-UHFFFAOYSA-N
XLogP0.07
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol?
The IUPAC name of 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol (CID 21264871) is 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol.
What is the SMILES notation for 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol?
The canonical SMILES for 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol is COc1ccc(N)cc1N(CCO)CCO.
What is the InChIKey of 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol?
The InChIKey is XQLSOIDBDQGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-11-3-2-9(12)8-10(11)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3.
What are the key properties of 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol?
2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol has a molecular weight of 226.28 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol is sourced from PubChem (CID 21264871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).