2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline

C16H18N4 — CID 6432140

IUPAC2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline
SMILESNc1ccccc1/C=N/CC/N=C/c1ccccc1N
InChIInChI=1S/C16H18N4/c17-15-7-3-1-5-13(15)11-19-9-10-20-12-14-6-2-4-8-16(14)18/h1-8,11-12H,9-10,17-18H2/b19-11+,20-12+
InChIKeyZFIFWHZGMOGXDV-AYKLPDECSA-N
MW266.35 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline

2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline (PubChem CID 6432140) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline.

Molecular Properties

Compound Name2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline
PubChem CID6432140
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline
SMILESNc1ccccc1/C=N/CC/N=C/c1ccccc1N
InChIInChI=1S/C16H18N4/c17-15-7-3-1-5-13(15)11-19-9-10-20-12-14-6-2-4-8-16(14)18/h1-8,11-12H,9-10,17-18H2/b19-11+,20-12+
InChIKeyZFIFWHZGMOGXDV-AYKLPDECSA-N
XLogP2.39
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline?
The IUPAC name of 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline (CID 6432140) is 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline.
What is the SMILES notation for 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline?
The canonical SMILES for 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline is Nc1ccccc1/C=N/CC/N=C/c1ccccc1N.
What is the InChIKey of 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline?
The InChIKey is ZFIFWHZGMOGXDV-AYKLPDECSA-N. The full InChI is InChI=1S/C16H18N4/c17-15-7-3-1-5-13(15)11-19-9-10-20-12-14-6-2-4-8-16(14)18/h1-8,11-12H,9-10,17-18H2/b19-11+,20-12+.
What are the key properties of 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline?
2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline has a molecular weight of 266.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline is sourced from PubChem (CID 6432140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).