2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol

C12H20N2O3 — CID 22026558

IUPAC2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCOc1ccc(N(CCO)CCO)cc1N
InChIInChI=1S/C12H20N2O3/c1-2-17-12-4-3-10(9-11(12)13)14(5-7-15)6-8-16/h3-4,9,15-16H,2,5-8,13H2,1H3
InChIKeyOCTAOLOHSXPNMS-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.46
Rot. Bonds7

About 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol

2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 22026558) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID22026558
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCOc1ccc(N(CCO)CCO)cc1N
InChIInChI=1S/C12H20N2O3/c1-2-17-12-4-3-10(9-11(12)13)14(5-7-15)6-8-16/h3-4,9,15-16H,2,5-8,13H2,1H3
InChIKeyOCTAOLOHSXPNMS-UHFFFAOYSA-N
XLogP0.46
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
4-[4-amino-N-(3,4-dihydroxybutyl)-3-ethoxyanilino]butane-1,2-diol
CID 59090244
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
2-(3-ethoxy-4-nitro-N-propylanilino)ethanol
CID 63676653
2-(3-amino-5-ethoxy-N-propylanilino)ethanol
CID 80730766
2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol
CID 63675494
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
5-(difluoromethyl)-2-ethoxyaniline
CID 130524156
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol (CID 22026558) is 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol is CCOc1ccc(N(CCO)CCO)cc1N.
What is the InChIKey of 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is OCTAOLOHSXPNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-17-12-4-3-10(9-11(12)13)14(5-7-15)6-8-16/h3-4,9,15-16H,2,5-8,13H2,1H3.
What are the key properties of 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol?
2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 240.30 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 22026558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).