2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol

C₂₃H₂₃Cl₂NO₃ — CID 146309825

About 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol

2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol (PubChem CID 146309825) has the molecular formula C₂₃H₂₃Cl₂NO₃ and a molecular weight of 432.35 g/mol. Its IUPAC name is 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol.

Molecular Properties

• Compound Name: 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
• PubChem CID: 146309825
• Molecular Formula: C₂₃H₂₃Cl₂NO₃
• Molecular Weight: 432.35 g/mol
• Exact Mass: 431.11
• IUPAC Name: 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
• SMILES: OCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C23H23Cl2NO3/c24-20-6-1-17(2-7-20)15-28-22-10-5-19(14-26-11-12-27)13-23(22)29-16-18-3-8-21(25)9-4-18/h1-10,13,26-27H,11-12,14-16H2
• InChIKey: ZLOFYLYUEIUYBB-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.35
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?

The IUPAC name of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol (CID 146309825) is 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol.

What is the SMILES notation for 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?

The canonical SMILES for 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol is OCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCc2ccc(Cl)cc2)c1.

What is the InChIKey of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?

The InChIKey is ZLOFYLYUEIUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO3/c24-20-6-1-17(2-7-20)15-28-22-10-5-19(14-26-11-12-27)13-23(22)29-16-18-3-8-21(25)9-4-18/h1-10,13,26-27H,11-12,14-16H2.

What are the key properties of 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?

2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol has a molecular weight of 432.35 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 146309825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146309825 — identifiers, structure, computed properties (public domain)

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