Clobenzorex

C₁₆H₁₈ClN — CID 735998

About Clobenzorex

Clobenzorex (PubChem CID 735998) has the molecular formula C₁₆H₁₈ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

• Compound Name: Clobenzorex
• PubChem CID: 735998
• Molecular Formula: C₁₆H₁₈ClN
• Molecular Weight: 259.78 g/mol
• Exact Mass: 259.11
• IUPAC Name: (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
• SMILES: C[C@@H](Cc1ccccc1)NCc1ccccc1Cl
• InChI: InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
• InChIKey: LRXXRIXDSAEIOR-ZDUSSCGKSA-N
• XLogP: 4.06
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.78
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Clobenzorex?

The IUPAC name of Clobenzorex (CID 735998) is (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine.

What is the SMILES notation for Clobenzorex?

The canonical SMILES for Clobenzorex is C[C@@H](Cc1ccccc1)NCc1ccccc1Cl.

What is the InChIKey of Clobenzorex?

The InChIKey is LRXXRIXDSAEIOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1.

What are the key properties of Clobenzorex?

Clobenzorex has a molecular weight of 259.78 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Clobenzorex is sourced from PubChem (CID 735998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 735998 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 684 — approved-drug record (CC BY-SA 4.0)

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