(benzylamino)-methoxymethanol

C₉H₁₃NO₂ — CID 154551883

About (benzylamino)-methoxymethanol

(benzylamino)-methoxymethanol (PubChem CID 154551883) has the molecular formula C₉H₁₃NO₂ and a molecular weight of 167.21 g/mol. Its IUPAC name is (benzylamino)-methoxymethanol.

Molecular Properties

• Compound Name: (benzylamino)-methoxymethanol
• PubChem CID: 154551883
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.21 g/mol
• Exact Mass: 167.09
• IUPAC Name: (benzylamino)-methoxymethanol
• SMILES: COC(O)NCc1ccccc1
• InChI: InChI=1S/C9H13NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
• InChIKey: OMVDBQIWESTLRW-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.21
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (benzylamino)-methoxymethanol?

The IUPAC name of (benzylamino)-methoxymethanol (CID 154551883) is (benzylamino)-methoxymethanol.

What is the SMILES notation for (benzylamino)-methoxymethanol?

The canonical SMILES for (benzylamino)-methoxymethanol is COC(O)NCc1ccccc1.

What is the InChIKey of (benzylamino)-methoxymethanol?

The InChIKey is OMVDBQIWESTLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3.

What are the key properties of (benzylamino)-methoxymethanol?

(benzylamino)-methoxymethanol has a molecular weight of 167.21 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (benzylamino)-methoxymethanol is sourced from PubChem (CID 154551883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154551883 — identifiers, structure, computed properties (public domain)

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