2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide

C10H14N2O2 — CID 91756255

IUPAC2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C10H14N2O2/c1-2-14-9-5-7(6-10(11)12)3-4-8(9)13/h3-5,13H,2,6H2,1H3,(H3,11,12)
InChIKeyLKCPHQRGJGNQBI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.27
Rot. Bonds4

About 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide

2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide (PubChem CID 91756255) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
PubChem CID91756255
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C10H14N2O2/c1-2-14-9-5-7(6-10(11)12)3-4-8(9)13/h3-5,13H,2,6H2,1H3,(H3,11,12)
InChIKeyLKCPHQRGJGNQBI-UHFFFAOYSA-N
XLogP1.27
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-diethoxyphenyl)ethanimidamide
CID 4071975
2-(3-ethoxy-4-hydroxyphenyl)-N'-hydroxyethanimidamide
CID 59395610
2-(3-ethoxyphenyl)ethanimidamide
CID 4114058
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
3-(3-ethoxy-4-hydroxyphenyl)-2-oxopropanoic acid
CID 16781603
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-amino-2-ethoxyphenol
CID 12856010
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
2-(4-hydroxy-3-nitrophenyl)ethanimidamide
CID 151168662

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide (CID 91756255) is 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide is [H]/N=C(\N)Cc1ccc(O)c(OCC)c1.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide?
The InChIKey is LKCPHQRGJGNQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-9-5-7(6-10(11)12)3-4-8(9)13/h3-5,13H,2,6H2,1H3,(H3,11,12).
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide?
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide has a molecular weight of 194.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide is sourced from PubChem (CID 91756255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).