2-[3-(2-chlorophenyl)propylamino]ethanol

C₁₁H₁₆ClNO — CID 70464320

About 2-[3-(2-chlorophenyl)propylamino]ethanol

2-[3-(2-chlorophenyl)propylamino]ethanol (PubChem CID 70464320) has the molecular formula C₁₁H₁₆ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propylamino]ethanol.

Molecular Properties

• Compound Name: 2-[3-(2-chlorophenyl)propylamino]ethanol
• PubChem CID: 70464320
• Molecular Formula: C₁₁H₁₆ClNO
• Molecular Weight: 213.71 g/mol
• Exact Mass: 213.09
• IUPAC Name: 2-[3-(2-chlorophenyl)propylamino]ethanol
• SMILES: OCCNCCCc1ccccc1Cl
• InChI: InChI=1S/C11H16ClNO/c12-11-6-2-1-4-10(11)5-3-7-13-8-9-14/h1-2,4,6,13-14H,3,5,7-9H2
• InChIKey: NNRLEGBTONNAIV-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.71
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propylamino]ethanol?

The IUPAC name of 2-[3-(2-chlorophenyl)propylamino]ethanol (CID 70464320) is 2-[3-(2-chlorophenyl)propylamino]ethanol.

What is the SMILES notation for 2-[3-(2-chlorophenyl)propylamino]ethanol?

The canonical SMILES for 2-[3-(2-chlorophenyl)propylamino]ethanol is OCCNCCCc1ccccc1Cl.

What is the InChIKey of 2-[3-(2-chlorophenyl)propylamino]ethanol?

The InChIKey is NNRLEGBTONNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c12-11-6-2-1-4-10(11)5-3-7-13-8-9-14/h1-2,4,6,13-14H,3,5,7-9H2.

What are the key properties of 2-[3-(2-chlorophenyl)propylamino]ethanol?

2-[3-(2-chlorophenyl)propylamino]ethanol has a molecular weight of 213.71 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-chlorophenyl)propylamino]ethanol is sourced from PubChem (CID 70464320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 70464320 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.