N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide

C12H19N3O2 — CID 62544954

IUPACN-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
SMILESCOCC/N=C(/Cc1ccc(OC)cc1)NN
InChIInChI=1S/C12H19N3O2/c1-16-8-7-14-12(15-13)9-10-3-5-11(17-2)6-4-10/h3-6H,7-9,13H2,1-2H3,(H,14,15)
InChIKeyKGRZXBNROWSHOP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.75
Rot. Bonds6

About N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide

N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide (PubChem CID 62544954) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
PubChem CID62544954
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
SMILESCOCC/N=C(/Cc1ccc(OC)cc1)NN
InChIInChI=1S/C12H19N3O2/c1-16-8-7-14-12(15-13)9-10-3-5-11(17-2)6-4-10/h3-6H,7-9,13H2,1-2H3,(H,14,15)
InChIKeyKGRZXBNROWSHOP-UHFFFAOYSA-N
XLogP0.75
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542669
N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542673
N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide
CID 61362269
N-amino-N'-(2-methoxyethyl)butanimidamide
CID 62544957
N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide
CID 62543671
N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
CID 61362907
2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63182134
N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
CID 61362567
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 39819173
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111092837
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide (CID 62544954) is N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide is COCC/N=C(/Cc1ccc(OC)cc1)NN.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide?
The InChIKey is KGRZXBNROWSHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-8-7-14-12(15-13)9-10-3-5-11(17-2)6-4-10/h3-6H,7-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide?
N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide has a molecular weight of 237.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 62544954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).