2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline

C14H15N3 — CID 172940611

IUPAC2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline
SMILESCc1ccc(/C(=N\N)c2ccccc2N)cc1
InChIInChI=1S/C14H15N3/c1-10-6-8-11(9-7-10)14(17-16)12-4-2-3-5-13(12)15/h2-9H,15-16H2,1H3/b17-14+
InChIKeyJVEWXERZYLSHJH-SAPNQHFASA-N
MW225.29 g/mol
LogP2.29
Rot. Bonds2

About 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline

2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline (PubChem CID 172940611) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline.

Molecular Properties

Compound Name2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline
PubChem CID172940611
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline
SMILESCc1ccc(/C(=N\N)c2ccccc2N)cc1
InChIInChI=1S/C14H15N3/c1-10-6-8-11(9-7-10)14(17-16)12-4-2-3-5-13(12)15/h2-9H,15-16H2,1H3/b17-14+
InChIKeyJVEWXERZYLSHJH-SAPNQHFASA-N
XLogP2.29
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline 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

(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
CID 625740
N',2-diaminobenzenecarboximidamide
CID 10307874
[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
[azulen-1-yl(azulen-6-yl)methylidene]hydrazine
CID 23244831
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
benzene-1,2-diamine;zinc
CID 70562194
2-aminobenzoic acid;1-methyl-4-propan-2-ylbenzene
CID 174500943
2-[C-(2-hydroxyphenyl)carbonohydrazonoyl]phenol
CID 135603489
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
2-amino-N'-(2,4-dimethylphenyl)benzenecarboximidamide
CID 15889680

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline?
The IUPAC name of 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline (CID 172940611) is 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline.
What is the SMILES notation for 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline?
The canonical SMILES for 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline is Cc1ccc(/C(=N\N)c2ccccc2N)cc1.
What is the InChIKey of 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline?
The InChIKey is JVEWXERZYLSHJH-SAPNQHFASA-N. The full InChI is InChI=1S/C14H15N3/c1-10-6-8-11(9-7-10)14(17-16)12-4-2-3-5-13(12)15/h2-9H,15-16H2,1H3/b17-14+.
What are the key properties of 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline?
2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline has a molecular weight of 225.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline is sourced from PubChem (CID 172940611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).