ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate

C15H24N2O3 — CID 20778018

IUPACethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate
SMILESCCOO/C=N/c1cc(N(CC)CC)c(OC)cc1C
InChIInChI=1S/C15H24N2O3/c1-6-17(7-2)14-10-13(16-11-20-19-8-3)12(4)9-15(14)18-5/h9-11H,6-8H2,1-5H3/b16-11+
InChIKeyAGQJYQBGSKFZKE-LFIBNONCSA-N
MW280.37 g/mol
LogP3.48
Rot. Bonds8

About ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate

ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate (PubChem CID 20778018) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate.

Molecular Properties

Compound Nameethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate
PubChem CID20778018
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate
SMILESCCOO/C=N/c1cc(N(CC)CC)c(OC)cc1C
InChIInChI=1S/C15H24N2O3/c1-6-17(7-2)14-10-13(16-11-20-19-8-3)12(4)9-15(14)18-5/h9-11H,6-8H2,1-5H3/b16-11+
InChIKeyAGQJYQBGSKFZKE-LFIBNONCSA-N
XLogP3.48
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate
CID 20778014
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine
CID 28792490
3-(4-chloro-N-ethyl-2-methoxy-5-methylanilino)propanoic acid
CID 82318783
ethyl 4-(N-ethyl-4-formyl-2,5-dimethoxyanilino)butanoate
CID 59839437
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
2-(diethylamino)-4,5-dimethylphenol
CID 19419378
1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
CID 135595898

Frequently Asked Questions

What is the IUPAC name of ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate?
The IUPAC name of ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate (CID 20778018) is ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate.
What is the SMILES notation for ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate?
The canonical SMILES for ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate is CCOO/C=N/c1cc(N(CC)CC)c(OC)cc1C.
What is the InChIKey of ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate?
The InChIKey is AGQJYQBGSKFZKE-LFIBNONCSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-17(7-2)14-10-13(16-11-20-19-8-3)12(4)9-15(14)18-5/h9-11H,6-8H2,1-5H3/b16-11+.
What are the key properties of ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate?
ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate has a molecular weight of 280.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate is sourced from PubChem (CID 20778018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).