ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate

C13H21N3O2 — CID 166669460

IUPACethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate
SMILESCCOC(C)=NOCc1c(C)cccc1N(C)N
InChIInChI=1S/C13H21N3O2/c1-5-17-11(3)15-18-9-12-10(2)7-6-8-13(12)16(4)14/h6-8H,5,9,14H2,1-4H3
InChIKeyCOLYXIYQFONUAJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds5

About ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate

ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate (PubChem CID 166669460) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate.

Molecular Properties

Compound Nameethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate
PubChem CID166669460
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate
SMILESCCOC(C)=NOCc1c(C)cccc1N(C)N
InChIInChI=1S/C13H21N3O2/c1-5-17-11(3)15-18-9-12-10(2)7-6-8-13(12)16(4)14/h6-8H,5,9,14H2,1-4H3
InChIKeyCOLYXIYQFONUAJ-UHFFFAOYSA-N
XLogP2.19
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
The IUPAC name of ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate (CID 166669460) is ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate.
What is the SMILES notation for ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
The canonical SMILES for ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate is CCOC(C)=NOCc1c(C)cccc1N(C)N.
What is the InChIKey of ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
The InChIKey is COLYXIYQFONUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-17-11(3)15-18-9-12-10(2)7-6-8-13(12)16(4)14/h6-8H,5,9,14H2,1-4H3.
What are the key properties of ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate has a molecular weight of 251.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate is sourced from PubChem (CID 166669460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).