(E)-2-amino-1-(benzylamino)ethenol

C9H12N2O — CID 144667459

IUPAC(E)-2-amino-1-(benzylamino)ethenol
SMILESN/C=C(/O)NCc1ccccc1
InChIInChI=1S/C9H12N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-6,11-12H,7,10H2/b9-6+
InChIKeyOERMUMOAGTUFTK-RMKNXTFCSA-N
MW164.21 g/mol
LogP1.09
Rot. Bonds3

About (E)-2-amino-1-(benzylamino)ethenol

(E)-2-amino-1-(benzylamino)ethenol (PubChem CID 144667459) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (E)-2-amino-1-(benzylamino)ethenol.

Molecular Properties

Compound Name(E)-2-amino-1-(benzylamino)ethenol
PubChem CID144667459
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(E)-2-amino-1-(benzylamino)ethenol
SMILESN/C=C(/O)NCc1ccccc1
InChIInChI=1S/C9H12N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-6,11-12H,7,10H2/b9-6+
InChIKeyOERMUMOAGTUFTK-RMKNXTFCSA-N
XLogP1.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-1-(benzylamino)ethenol?
The IUPAC name of (E)-2-amino-1-(benzylamino)ethenol (CID 144667459) is (E)-2-amino-1-(benzylamino)ethenol.
What is the SMILES notation for (E)-2-amino-1-(benzylamino)ethenol?
The canonical SMILES for (E)-2-amino-1-(benzylamino)ethenol is N/C=C(/O)NCc1ccccc1.
What is the InChIKey of (E)-2-amino-1-(benzylamino)ethenol?
The InChIKey is OERMUMOAGTUFTK-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H12N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-6,11-12H,7,10H2/b9-6+.
What are the key properties of (E)-2-amino-1-(benzylamino)ethenol?
(E)-2-amino-1-(benzylamino)ethenol has a molecular weight of 164.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-1-(benzylamino)ethenol is sourced from PubChem (CID 144667459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).