2-[(Z)-(phenylhydrazinylidene)methyl]aniline

C13H13N3 — CID 5375979

IUPAC2-[(Z)-(phenylhydrazinylidene)methyl]aniline
SMILESNc1ccccc1/C=N\Nc1ccccc1
InChIInChI=1S/C13H13N3/c14-13-9-5-4-6-11(13)10-15-16-12-7-2-1-3-8-12/h1-10,16H,14H2/b15-10-
InChIKeyLCPNCBSCOIMOBC-GDNBJRDFSA-N
MW211.27 g/mol
LogP2.71
Rot. Bonds3

About 2-[(Z)-(phenylhydrazinylidene)methyl]aniline

2-[(Z)-(phenylhydrazinylidene)methyl]aniline (PubChem CID 5375979) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(Z)-(phenylhydrazinylidene)methyl]aniline.

Molecular Properties

Compound Name2-[(Z)-(phenylhydrazinylidene)methyl]aniline
PubChem CID5375979
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-[(Z)-(phenylhydrazinylidene)methyl]aniline
SMILESNc1ccccc1/C=N\Nc1ccccc1
InChIInChI=1S/C13H13N3/c14-13-9-5-4-6-11(13)10-15-16-12-7-2-1-3-8-12/h1-10,16H,14H2/b15-10-
InChIKeyLCPNCBSCOIMOBC-GDNBJRDFSA-N
XLogP2.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.71
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-[(Z)-(phenylhydrazinylidene)methyl]aniline?
The IUPAC name of 2-[(Z)-(phenylhydrazinylidene)methyl]aniline (CID 5375979) is 2-[(Z)-(phenylhydrazinylidene)methyl]aniline.
What is the SMILES notation for 2-[(Z)-(phenylhydrazinylidene)methyl]aniline?
The canonical SMILES for 2-[(Z)-(phenylhydrazinylidene)methyl]aniline is Nc1ccccc1/C=N\Nc1ccccc1.
What is the InChIKey of 2-[(Z)-(phenylhydrazinylidene)methyl]aniline?
The InChIKey is LCPNCBSCOIMOBC-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H13N3/c14-13-9-5-4-6-11(13)10-15-16-12-7-2-1-3-8-12/h1-10,16H,14H2/b15-10-.
What are the key properties of 2-[(Z)-(phenylhydrazinylidene)methyl]aniline?
2-[(Z)-(phenylhydrazinylidene)methyl]aniline has a molecular weight of 211.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(phenylhydrazinylidene)methyl]aniline is sourced from PubChem (CID 5375979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).