1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol

C₁₈H₂₁NO₂ — CID 43220929

About 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol

1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol (PubChem CID 43220929) has the molecular formula C₁₈H₂₁NO₂ and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol.

Molecular Properties

• Compound Name: 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
• PubChem CID: 43220929
• Molecular Formula: C₁₈H₂₁NO₂
• Molecular Weight: 283.37 g/mol
• Exact Mass: 283.16
• IUPAC Name: 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
• SMILES: C=CCOc1ccccc1CNCC(O)c1ccccc1
• InChI: InChI=1S/C18H21NO2/c1-2-12-21-18-11-7-6-10-16(18)13-19-14-17(20)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2
• InChIKey: NVHQJZUEKGWAPZ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.37
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?

The IUPAC name of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol (CID 43220929) is 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol.

What is the SMILES notation for 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?

The canonical SMILES for 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol is C=CCOc1ccccc1CNCC(O)c1ccccc1.

What is the InChIKey of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?

The InChIKey is NVHQJZUEKGWAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-12-21-18-11-7-6-10-16(18)13-19-14-17(20)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2.

What are the key properties of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?

1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol has a molecular weight of 283.37 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 43220929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43220929 — identifiers, structure, computed properties (public domain)

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