N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine

C12H17NO — CID 121015502

IUPACN-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine
SMILESCOCC/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-10-4-6-12(7-5-10)11(2)13-8-9-14-3/h4-7H,8-9H2,1-3H3/b13-11+
InChIKeyOVHCPCIQMVGMAX-ACCUITESSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds4

About N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine

N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine (PubChem CID 121015502) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine
PubChem CID121015502
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine
SMILESCOCC/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-10-4-6-12(7-5-10)11(2)13-8-9-14-3/h4-7H,8-9H2,1-3H3/b13-11+
InChIKeyOVHCPCIQMVGMAX-ACCUITESSA-N
XLogP2.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-N-propylethanimine
CID 146572817
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181364
N-ethynyl-1-(4-methylphenyl)ethanimine
CID 142108987
3-ethyl-2-(2-methoxyethyl)-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289253
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543990
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride
CID 23315119
3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
CID 103967319
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine (CID 121015502) is N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine is COCC/N=C(\C)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine?
The InChIKey is OVHCPCIQMVGMAX-ACCUITESSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-4-6-12(7-5-10)11(2)13-8-9-14-3/h4-7H,8-9H2,1-3H3/b13-11+.
What are the key properties of N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine?
N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine has a molecular weight of 191.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 121015502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).