(4-ethanimidoyl-3-ethylphenyl)methanamine

C11H16N2 — CID 144882906

IUPAC(4-ethanimidoyl-3-ethylphenyl)methanamine
SMILES[H]/N=C(\C)c1ccc(CN)cc1CC
InChIInChI=1S/C11H16N2/c1-3-10-6-9(7-12)4-5-11(10)8(2)13/h4-6,13H,3,7,12H2,1-2H3/b13-8+
InChIKeyADXCVRCGUMCDAO-MDWZMJQESA-N
MW176.26 g/mol
LogP2.10
Rot. Bonds3

About (4-ethanimidoyl-3-ethylphenyl)methanamine

(4-ethanimidoyl-3-ethylphenyl)methanamine (PubChem CID 144882906) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4-ethanimidoyl-3-ethylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethanimidoyl-3-ethylphenyl)methanamine
PubChem CID144882906
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4-ethanimidoyl-3-ethylphenyl)methanamine
SMILES[H]/N=C(\C)c1ccc(CN)cc1CC
InChIInChI=1S/C11H16N2/c1-3-10-6-9(7-12)4-5-11(10)8(2)13/h4-6,13H,3,7,12H2,1-2H3/b13-8+
InChIKeyADXCVRCGUMCDAO-MDWZMJQESA-N
XLogP2.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-ethanimidoyl-3-ethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine
CID 144882762
4-(aminomethyl)phthalic acid;hydrochloride
CID 138040223
[3-(3-iminobutyl)phenyl]methanamine
CID 157053847
(3-ethyl-4-nitrophenyl)methanamine
CID 168908904
[3-(2-iminopentyl)phenyl]methanamine
CID 174650282
(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine
CID 172923604
methyl 2-ethyl-4-fluorobenzenecarboximidothioate
CID 142108406
[4-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol
CID 23008874
ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
CID 176566491
4-(5-ethyl-2-methylphenyl)butan-2-imine
CID 137467922
5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 143273094
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372

Frequently Asked Questions

What is the IUPAC name of (4-ethanimidoyl-3-ethylphenyl)methanamine?
The IUPAC name of (4-ethanimidoyl-3-ethylphenyl)methanamine (CID 144882906) is (4-ethanimidoyl-3-ethylphenyl)methanamine.
What is the SMILES notation for (4-ethanimidoyl-3-ethylphenyl)methanamine?
The canonical SMILES for (4-ethanimidoyl-3-ethylphenyl)methanamine is [H]/N=C(\C)c1ccc(CN)cc1CC.
What is the InChIKey of (4-ethanimidoyl-3-ethylphenyl)methanamine?
The InChIKey is ADXCVRCGUMCDAO-MDWZMJQESA-N. The full InChI is InChI=1S/C11H16N2/c1-3-10-6-9(7-12)4-5-11(10)8(2)13/h4-6,13H,3,7,12H2,1-2H3/b13-8+.
What are the key properties of (4-ethanimidoyl-3-ethylphenyl)methanamine?
(4-ethanimidoyl-3-ethylphenyl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethanimidoyl-3-ethylphenyl)methanamine is sourced from PubChem (CID 144882906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).