1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone

C11H14N2O — CID 143203841

IUPAC1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone
SMILESC=Nc1cccc(C(C)=O)c1NCC
InChIInChI=1S/C11H14N2O/c1-4-13-11-9(8(2)14)6-5-7-10(11)12-3/h5-7,13H,3-4H2,1-2H3
InChIKeyPUJBUUYJWRPSFW-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone

1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone (PubChem CID 143203841) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone
PubChem CID143203841
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone
SMILESC=Nc1cccc(C(C)=O)c1NCC
InChIInChI=1S/C11H14N2O/c1-4-13-11-9(8(2)14)6-5-7-10(11)12-3/h5-7,13H,3-4H2,1-2H3
InChIKeyPUJBUUYJWRPSFW-UHFFFAOYSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)benzene-1,3-dicarboxylic acid
CID 141058126
ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
1-[2-(methylideneamino)phenyl]ethanimine
CID 89114135
ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 144705289
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
N-[2-(methylideneamino)phenyl]acetamide
CID 134593356
1-[2-(chloroamino)-3-methylphenyl]ethanone
CID 141131299
3-cyano-2-(ethylamino)benzoic acid
CID 66674956
CID 67277559
CID 67277559
1-(2-hydrazinyl-3-methylphenyl)ethanone
CID 67803006
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone?
The IUPAC name of 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone (CID 143203841) is 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone?
The canonical SMILES for 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone is C=Nc1cccc(C(C)=O)c1NCC.
What is the InChIKey of 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone?
The InChIKey is PUJBUUYJWRPSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-13-11-9(8(2)14)6-5-7-10(11)12-3/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone?
1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone has a molecular weight of 190.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone is sourced from PubChem (CID 143203841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).