3-ethanimidoyl-4-(methylamino)benzaldehyde

C10H12N2O — CID 171520476

IUPAC3-ethanimidoyl-4-(methylamino)benzaldehyde
SMILES[H]/N=C(\C)c1cc(C=O)ccc1NC
InChIInChI=1S/C10H12N2O/c1-7(11)9-5-8(6-13)3-4-10(9)12-2/h3-6,11-12H,1-2H3/b11-7+
InChIKeyYVWIUUJVUYKOJQ-YRNVUSSQSA-N
MW176.22 g/mol
LogP1.93
Rot. Bonds3

About 3-ethanimidoyl-4-(methylamino)benzaldehyde

3-ethanimidoyl-4-(methylamino)benzaldehyde (PubChem CID 171520476) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethanimidoyl-4-(methylamino)benzaldehyde.

Molecular Properties

Compound Name3-ethanimidoyl-4-(methylamino)benzaldehyde
PubChem CID171520476
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-ethanimidoyl-4-(methylamino)benzaldehyde
SMILES[H]/N=C(\C)c1cc(C=O)ccc1NC
InChIInChI=1S/C10H12N2O/c1-7(11)9-5-8(6-13)3-4-10(9)12-2/h3-6,11-12H,1-2H3/b11-7+
InChIKeyYVWIUUJVUYKOJQ-YRNVUSSQSA-N
XLogP1.93
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethanimidoyl-4-(methylamino)benzaldehyde 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

methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde
CID 143675847
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
CID 134289638
4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
CID 174256186
5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
CID 144540330
4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline
CID 144540394
N-(4-formyl-2-hydroxyphenyl)acetamide
CID 84767760
(4-bromo-2-ethanimidoylanilino)thallium;ethane
CID 144844659
N-(4-formyl-2-methylphenyl)formamide
CID 144615218
(Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal
CID 176936796
3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine
CID 166807042

Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-4-(methylamino)benzaldehyde?
The IUPAC name of 3-ethanimidoyl-4-(methylamino)benzaldehyde (CID 171520476) is 3-ethanimidoyl-4-(methylamino)benzaldehyde.
What is the SMILES notation for 3-ethanimidoyl-4-(methylamino)benzaldehyde?
The canonical SMILES for 3-ethanimidoyl-4-(methylamino)benzaldehyde is [H]/N=C(\C)c1cc(C=O)ccc1NC.
What is the InChIKey of 3-ethanimidoyl-4-(methylamino)benzaldehyde?
The InChIKey is YVWIUUJVUYKOJQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(11)9-5-8(6-13)3-4-10(9)12-2/h3-6,11-12H,1-2H3/b11-7+.
What are the key properties of 3-ethanimidoyl-4-(methylamino)benzaldehyde?
3-ethanimidoyl-4-(methylamino)benzaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-4-(methylamino)benzaldehyde is sourced from PubChem (CID 171520476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).