methyl 3-(4-ethylphenyl)propanimidate

C12H17NO — CID 95436765

IUPACmethyl 3-(4-ethylphenyl)propanimidate
SMILES[H]/N=C(/CCc1ccc(CC)cc1)OC
InChIInChI=1S/C12H17NO/c1-3-10-4-6-11(7-5-10)8-9-12(13)14-2/h4-7,13H,3,8-9H2,1-2H3/b13-12-
InChIKeyKGECBKZMKJECLK-SEYXRHQNSA-N
MW191.27 g/mol
LogP2.81
Rot. Bonds4

About methyl 3-(4-ethylphenyl)propanimidate

methyl 3-(4-ethylphenyl)propanimidate (PubChem CID 95436765) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is methyl 3-(4-ethylphenyl)propanimidate.

Molecular Properties

Compound Namemethyl 3-(4-ethylphenyl)propanimidate
PubChem CID95436765
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namemethyl 3-(4-ethylphenyl)propanimidate
SMILES[H]/N=C(/CCc1ccc(CC)cc1)OC
InChIInChI=1S/C12H17NO/c1-3-10-4-6-11(7-5-10)8-9-12(13)14-2/h4-7,13H,3,8-9H2,1-2H3/b13-12-
InChIKeyKGECBKZMKJECLK-SEYXRHQNSA-N
XLogP2.81
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-ethoxyphenyl)propanimidate
CID 95439607
methyl 3-(3,4-dimethoxyphenyl)propanimidate
CID 95445563
methyl 4-ethylbenzenecarboximidate
CID 60984990
methyl 3-[3-(2,6-dimethylphenyl)phenyl]propanimidate
CID 146182928
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
1-(4-ethylphenyl)-3-methylbut-2-en-1-imine
CID 167296423
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
methyl 3-(4-carbamimidoylphenyl)propanoate;hydrochloride
CID 19376397
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
methyl 4-(2,4,5-trimethylphenyl)butanimidate
CID 95443466

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylphenyl)propanimidate?
The IUPAC name of methyl 3-(4-ethylphenyl)propanimidate (CID 95436765) is methyl 3-(4-ethylphenyl)propanimidate.
What is the SMILES notation for methyl 3-(4-ethylphenyl)propanimidate?
The canonical SMILES for methyl 3-(4-ethylphenyl)propanimidate is [H]/N=C(/CCc1ccc(CC)cc1)OC.
What is the InChIKey of methyl 3-(4-ethylphenyl)propanimidate?
The InChIKey is KGECBKZMKJECLK-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10-4-6-11(7-5-10)8-9-12(13)14-2/h4-7,13H,3,8-9H2,1-2H3/b13-12-.
What are the key properties of methyl 3-(4-ethylphenyl)propanimidate?
methyl 3-(4-ethylphenyl)propanimidate has a molecular weight of 191.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethylphenyl)propanimidate is sourced from PubChem (CID 95436765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).