N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine

C₁₀H₁₆N₂O — CID 57171134

About N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine

N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine (PubChem CID 57171134) has the molecular formula C₁₀H₁₆N₂O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine
• PubChem CID: 57171134
• Molecular Formula: C₁₀H₁₆N₂O
• Molecular Weight: 180.25 g/mol
• Exact Mass: 180.13
• IUPAC Name: N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine
• SMILES: CN(C)CCc1ccccc1NO
• InChI: InChI=1S/C10H16N2O/c1-12(2)8-7-9-5-3-4-6-10(9)11-13/h3-6,11,13H,7-8H2,1-2H3
• InChIKey: OKEIXXBPDLPUHG-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 35.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.25
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine?

The IUPAC name of N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine (CID 57171134) is N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine.

What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine?

The canonical SMILES for N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine is CN(C)CCc1ccccc1NO.

What is the InChIKey of N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine?

The InChIKey is OKEIXXBPDLPUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)8-7-9-5-3-4-6-10(9)11-13/h3-6,11,13H,7-8H2,1-2H3.

What are the key properties of N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine?

N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine has a molecular weight of 180.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine is sourced from PubChem (CID 57171134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57171134 — identifiers, structure, computed properties (public domain)

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