2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol

C11H18N2O2 — CID 112647279

IUPAC2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol
SMILESCc1cc(N)cc(N(CCO)CCO)c1
InChIInChI=1S/C11H18N2O2/c1-9-6-10(12)8-11(7-9)13(2-4-14)3-5-15/h6-8,14-15H,2-5,12H2,1H3
InChIKeyLBGHOLQLAPEDJU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.37
Rot. Bonds5

About 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol

2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol (PubChem CID 112647279) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol.

Molecular Properties

Compound Name2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol
PubChem CID112647279
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol
SMILESCc1cc(N)cc(N(CCO)CCO)c1
InChIInChI=1S/C11H18N2O2/c1-9-6-10(12)8-11(7-9)13(2-4-14)3-5-15/h6-8,14-15H,2-5,12H2,1H3
InChIKeyLBGHOLQLAPEDJU-UHFFFAOYSA-N
XLogP0.37
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol?
The IUPAC name of 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol (CID 112647279) is 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol.
What is the SMILES notation for 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol?
The canonical SMILES for 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol is Cc1cc(N)cc(N(CCO)CCO)c1.
What is the InChIKey of 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol?
The InChIKey is LBGHOLQLAPEDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-6-10(12)8-11(7-9)13(2-4-14)3-5-15/h6-8,14-15H,2-5,12H2,1H3.
What are the key properties of 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol?
2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol is sourced from PubChem (CID 112647279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).