2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol

C12H19FN2O3 — CID 63593222

IUPAC2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCOc1cc(N(CCO)CCO)c(N)cc1F
InChIInChI=1S/C12H19FN2O3/c1-2-18-12-8-11(10(14)7-9(12)13)15(3-5-16)4-6-17/h7-8,16-17H,2-6,14H2,1H3
InChIKeyCVNVJAXGBYGHPY-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.60
Rot. Bonds7

About 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol

2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 63593222) has the molecular formula C12H19FN2O3 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID63593222
Molecular FormulaC12H19FN2O3
Molecular Weight258.29 g/mol
Exact Mass258.14
IUPAC Name2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCOc1cc(N(CCO)CCO)c(N)cc1F
InChIInChI=1S/C12H19FN2O3/c1-2-18-12-8-11(10(14)7-9(12)13)15(3-5-16)4-6-17/h7-8,16-17H,2-6,14H2,1H3
InChIKeyCVNVJAXGBYGHPY-UHFFFAOYSA-N
XLogP0.60
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.60
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-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol (CID 63593222) is 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol is CCOc1cc(N(CCO)CCO)c(N)cc1F.
What is the InChIKey of 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is CVNVJAXGBYGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3/c1-2-18-12-8-11(10(14)7-9(12)13)15(3-5-16)4-6-17/h7-8,16-17H,2-6,14H2,1H3.
What are the key properties of 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 258.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 63593222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).