2-(3,4-diethoxyphenyl)ethanimidamide

C12H18N2O2 — CID 4071975

IUPAC2-(3,4-diethoxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C12H18N2O2/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H3,13,14)
InChIKeyWCFNETDVAPPWRV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.96
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)ethanimidamide

2-(3,4-diethoxyphenyl)ethanimidamide (PubChem CID 4071975) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)ethanimidamide
PubChem CID4071975
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3,4-diethoxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C12H18N2O2/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H3,13,14)
InChIKeyWCFNETDVAPPWRV-UHFFFAOYSA-N
XLogP1.96
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
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-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255
2-(3-ethoxyphenyl)ethanimidamide
CID 4114058
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
diethyl 2-[(3,4-diethoxyphenyl)methyl]propanedioate
CID 71574869
(3,4-diethoxyphenyl)methylazanium
CID 7019296
1,2-diethoxy-4-propylbenzene
CID 3995471
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
2-(3-bromo-4-methylphenyl)ethanimidamide
CID 130663671
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
2-[2-(diethylamino)-4-pyridinyl]ethanimidamide
CID 83882972

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)ethanimidamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)ethanimidamide (CID 4071975) is 2-(3,4-diethoxyphenyl)ethanimidamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)ethanimidamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)ethanimidamide is [H]/N=C(\N)Cc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 2-(3,4-diethoxyphenyl)ethanimidamide?
The InChIKey is WCFNETDVAPPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H3,13,14).
What are the key properties of 2-(3,4-diethoxyphenyl)ethanimidamide?
2-(3,4-diethoxyphenyl)ethanimidamide has a molecular weight of 222.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)ethanimidamide is sourced from PubChem (CID 4071975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).