ethyl 3-anilinopropanimidate

C11H16N2O — CID 134890882

IUPACethyl 3-anilinopropanimidate
SMILES[H]/N=C(/CCNc1ccccc1)OCC
InChIInChI=1S/C11H16N2O/c1-2-14-11(12)8-9-13-10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3/b12-11-
InChIKeyFDAKCCHZEQBOGW-QXMHVHEDSA-N
MW192.26 g/mol
LogP2.50
Rot. Bonds5

About ethyl 3-anilinopropanimidate

ethyl 3-anilinopropanimidate (PubChem CID 134890882) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethyl 3-anilinopropanimidate.

Molecular Properties

Compound Nameethyl 3-anilinopropanimidate
PubChem CID134890882
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethyl 3-anilinopropanimidate
SMILES[H]/N=C(/CCNc1ccccc1)OCC
InChIInChI=1S/C11H16N2O/c1-2-14-11(12)8-9-13-10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3/b12-11-
InChIKeyFDAKCCHZEQBOGW-QXMHVHEDSA-N
XLogP2.50
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilinopropanimidate?
The IUPAC name of ethyl 3-anilinopropanimidate (CID 134890882) is ethyl 3-anilinopropanimidate.
What is the SMILES notation for ethyl 3-anilinopropanimidate?
The canonical SMILES for ethyl 3-anilinopropanimidate is [H]/N=C(/CCNc1ccccc1)OCC.
What is the InChIKey of ethyl 3-anilinopropanimidate?
The InChIKey is FDAKCCHZEQBOGW-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-14-11(12)8-9-13-10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3/b12-11-.
What are the key properties of ethyl 3-anilinopropanimidate?
ethyl 3-anilinopropanimidate has a molecular weight of 192.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilinopropanimidate is sourced from PubChem (CID 134890882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).