ethyl 3-(3-methylanilino)propanimidate

C12H18N2O — CID 45097004

IUPACethyl 3-(3-methylanilino)propanimidate
SMILES[H]/N=C(/CCNc1cccc(C)c1)OCC
InChIInChI=1S/C12H18N2O/c1-3-15-12(13)7-8-14-11-6-4-5-10(2)9-11/h4-6,9,13-14H,3,7-8H2,1-2H3/b13-12-
InChIKeyXPAOALBZZNHDHS-SEYXRHQNSA-N
MW206.29 g/mol
LogP2.81
Rot. Bonds5

About ethyl 3-(3-methylanilino)propanimidate

ethyl 3-(3-methylanilino)propanimidate (PubChem CID 45097004) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is ethyl 3-(3-methylanilino)propanimidate.

Molecular Properties

Compound Nameethyl 3-(3-methylanilino)propanimidate
PubChem CID45097004
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nameethyl 3-(3-methylanilino)propanimidate
SMILES[H]/N=C(/CCNc1cccc(C)c1)OCC
InChIInChI=1S/C12H18N2O/c1-3-15-12(13)7-8-14-11-6-4-5-10(2)9-11/h4-6,9,13-14H,3,7-8H2,1-2H3/b13-12-
InChIKeyXPAOALBZZNHDHS-SEYXRHQNSA-N
XLogP2.81
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethyl 3-(3-chloroanilino)propanimidate
CID 134890828
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144
N-(3-ethylhex-3-enyl)-3-methylaniline
CID 142117725
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
6-(3-methylanilino)hexan-3-one
CID 10798292
3-(3-ethylanilino)propanimidamide;dihydrochloride
CID 172803817
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
ethyl 3-(3-ethylanilino)propanoate
CID 43365421

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methylanilino)propanimidate?
The IUPAC name of ethyl 3-(3-methylanilino)propanimidate (CID 45097004) is ethyl 3-(3-methylanilino)propanimidate.
What is the SMILES notation for ethyl 3-(3-methylanilino)propanimidate?
The canonical SMILES for ethyl 3-(3-methylanilino)propanimidate is [H]/N=C(/CCNc1cccc(C)c1)OCC.
What is the InChIKey of ethyl 3-(3-methylanilino)propanimidate?
The InChIKey is XPAOALBZZNHDHS-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-15-12(13)7-8-14-11-6-4-5-10(2)9-11/h4-6,9,13-14H,3,7-8H2,1-2H3/b13-12-.
What are the key properties of ethyl 3-(3-methylanilino)propanimidate?
ethyl 3-(3-methylanilino)propanimidate has a molecular weight of 206.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methylanilino)propanimidate is sourced from PubChem (CID 45097004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).