1-[[(E)-2-phenylethenyl]amino]ethanol

C10H13NO — CID 22114291

IUPAC1-[[(E)-2-phenylethenyl]amino]ethanol
SMILESCC(O)N/C=C/c1ccccc1
InChIInChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-9,11-12H,1H3/b8-7+
InChIKeyVFOBSHSWIIIZTB-BQYQJAHWSA-N
MW163.22 g/mol
LogP1.59
Rot. Bonds3

About 1-[[(E)-2-phenylethenyl]amino]ethanol

1-[[(E)-2-phenylethenyl]amino]ethanol (PubChem CID 22114291) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[[(E)-2-phenylethenyl]amino]ethanol.

Molecular Properties

Compound Name1-[[(E)-2-phenylethenyl]amino]ethanol
PubChem CID22114291
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-[[(E)-2-phenylethenyl]amino]ethanol
SMILESCC(O)N/C=C/c1ccccc1
InChIInChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-9,11-12H,1H3/b8-7+
InChIKeyVFOBSHSWIIIZTB-BQYQJAHWSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-phenylethenyl]amino]ethanol?
The IUPAC name of 1-[[(E)-2-phenylethenyl]amino]ethanol (CID 22114291) is 1-[[(E)-2-phenylethenyl]amino]ethanol.
What is the SMILES notation for 1-[[(E)-2-phenylethenyl]amino]ethanol?
The canonical SMILES for 1-[[(E)-2-phenylethenyl]amino]ethanol is CC(O)N/C=C/c1ccccc1.
What is the InChIKey of 1-[[(E)-2-phenylethenyl]amino]ethanol?
The InChIKey is VFOBSHSWIIIZTB-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-9,11-12H,1H3/b8-7+.
What are the key properties of 1-[[(E)-2-phenylethenyl]amino]ethanol?
1-[[(E)-2-phenylethenyl]amino]ethanol has a molecular weight of 163.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-phenylethenyl]amino]ethanol is sourced from PubChem (CID 22114291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).