Chlophedianol

C₁₇H₂₀ClNO — CID 2795

About Chlophedianol

Chlophedianol (PubChem CID 2795) has the molecular formula C₁₇H₂₀ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol.

Molecular Properties

• Compound Name: Chlophedianol
• PubChem CID: 2795
• Molecular Formula: C₁₇H₂₀ClNO
• Molecular Weight: 289.81 g/mol
• Exact Mass: 289.12
• IUPAC Name: 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
• SMILES: CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl
• InChI: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
• InChIKey: WRCHFMBCVFFYEQ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.81
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Chlophedianol?

The IUPAC name of Chlophedianol (CID 2795) is 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol.

What is the SMILES notation for Chlophedianol?

The canonical SMILES for Chlophedianol is CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl.

What is the InChIKey of Chlophedianol?

The InChIKey is WRCHFMBCVFFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3.

What are the key properties of Chlophedianol?

Chlophedianol has a molecular weight of 289.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Chlophedianol is sourced from PubChem (CID 2795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2795 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 585 — approved-drug record (CC BY-SA 4.0)

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