(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine

C12H17NO — CID 89246077

IUPAC(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
SMILESCCO/N=C(\C)c1cc(C)ccc1C
InChIInChI=1S/C12H17NO/c1-5-14-13-11(4)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3/b13-11+
InChIKeyNDWMPHAGMSXOHT-ACCUITESSA-N
MW191.27 g/mol
LogP3.06
Rot. Bonds3

About (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine

(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine (PubChem CID 89246077) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
PubChem CID89246077
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
SMILESCCO/N=C(\C)c1cc(C)ccc1C
InChIInChI=1S/C12H17NO/c1-5-14-13-11(4)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3/b13-11+
InChIKeyNDWMPHAGMSXOHT-ACCUITESSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid
CID 77013314
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
(E)-N-ethoxy-1-(2-methoxyphenyl)ethanimine
CID 89151360
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
CID 136994688
1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
CID 167484189
2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
CID 9017468
N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine
CID 72558103
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
ethyl (2S)-3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanoate
CID 97035574
4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
CID 137214322
N-[2-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-fluorophenyl]-1,1,1-trifluoromethanesulfonamide
CID 25096132

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine?
The IUPAC name of (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine (CID 89246077) is (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine.
What is the SMILES notation for (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine?
The canonical SMILES for (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine is CCO/N=C(\C)c1cc(C)ccc1C.
What is the InChIKey of (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine?
The InChIKey is NDWMPHAGMSXOHT-ACCUITESSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-14-13-11(4)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3/b13-11+.
What are the key properties of (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine?
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine has a molecular weight of 191.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine is sourced from PubChem (CID 89246077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).