2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol

C23H23Cl2NO2 — CID 44522755

IUPAC2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol
SMILESCC(Cc1ccc(Oc2ccc(Cl)cc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C23H23Cl2NO2/c1-16(26-15-23(27)18-3-2-4-20(25)14-18)13-17-5-9-21(10-6-17)28-22-11-7-19(24)8-12-22/h2-12,14,16,23,26-27H,13,15H2,1H3
InChIKeyJCGKIQWEEKFZIX-UHFFFAOYSA-N
MW416.35 g/mol
LogP6.04
Rot. Bonds8

About 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol

2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol (PubChem CID 44522755) has the molecular formula C23H23Cl2NO2 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol
PubChem CID44522755
Molecular FormulaC23H23Cl2NO2
Molecular Weight416.35 g/mol
Exact Mass415.11
IUPAC Name2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol
SMILESCC(Cc1ccc(Oc2ccc(Cl)cc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C23H23Cl2NO2/c1-16(26-15-23(27)18-3-2-4-20(25)14-18)13-17-5-9-21(10-6-17)28-22-11-7-19(24)8-12-22/h2-12,14,16,23,26-27H,13,15H2,1H3
InChIKeyJCGKIQWEEKFZIX-UHFFFAOYSA-N
XLogP6.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
The IUPAC name of 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol (CID 44522755) is 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol is CC(Cc1ccc(Oc2ccc(Cl)cc2)cc1)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
The InChIKey is JCGKIQWEEKFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO2/c1-16(26-15-23(27)18-3-2-4-20(25)14-18)13-17-5-9-21(10-6-17)28-22-11-7-19(24)8-12-22/h2-12,14,16,23,26-27H,13,15H2,1H3.
What are the key properties of 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol has a molecular weight of 416.35 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-chlorophenoxy)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 44522755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).