2-(N-anilino-C-methylcarbonimidoyl)aniline

C14H15N3 — CID 4248017

IUPAC2-(N-anilino-C-methylcarbonimidoyl)aniline
SMILESCC(=NNc1ccccc1)c1ccccc1N
InChIInChI=1S/C14H15N3/c1-11(13-9-5-6-10-14(13)15)16-17-12-7-3-2-4-8-12/h2-10,17H,15H2,1H3
InChIKeyOHOPPWNOBIEEIT-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.10
Rot. Bonds3

About 2-(N-anilino-C-methylcarbonimidoyl)aniline

2-(N-anilino-C-methylcarbonimidoyl)aniline (PubChem CID 4248017) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(N-anilino-C-methylcarbonimidoyl)aniline.

Molecular Properties

Compound Name2-(N-anilino-C-methylcarbonimidoyl)aniline
PubChem CID4248017
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-(N-anilino-C-methylcarbonimidoyl)aniline
SMILESCC(=NNc1ccccc1)c1ccccc1N
InChIInChI=1S/C14H15N3/c1-11(13-9-5-6-10-14(13)15)16-17-12-7-3-2-4-8-12/h2-10,17H,15H2,1H3
InChIKeyOHOPPWNOBIEEIT-UHFFFAOYSA-N
XLogP3.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-anilino-C-methylcarbonimidoyl)aniline?
The IUPAC name of 2-(N-anilino-C-methylcarbonimidoyl)aniline (CID 4248017) is 2-(N-anilino-C-methylcarbonimidoyl)aniline.
What is the SMILES notation for 2-(N-anilino-C-methylcarbonimidoyl)aniline?
The canonical SMILES for 2-(N-anilino-C-methylcarbonimidoyl)aniline is CC(=NNc1ccccc1)c1ccccc1N.
What is the InChIKey of 2-(N-anilino-C-methylcarbonimidoyl)aniline?
The InChIKey is OHOPPWNOBIEEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-11(13-9-5-6-10-14(13)15)16-17-12-7-3-2-4-8-12/h2-10,17H,15H2,1H3.
What are the key properties of 2-(N-anilino-C-methylcarbonimidoyl)aniline?
2-(N-anilino-C-methylcarbonimidoyl)aniline has a molecular weight of 225.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-anilino-C-methylcarbonimidoyl)aniline is sourced from PubChem (CID 4248017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).