1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol

C24H28N2O4 — CID 2852501

IUPAC1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol
SMILESOC(CNc1ccccc1)COc1ccc(OCC(O)CNc2ccccc2)cc1
InChIInChI=1S/C24H28N2O4/c27-21(15-25-19-7-3-1-4-8-19)17-29-23-11-13-24(14-12-23)30-18-22(28)16-26-20-9-5-2-6-10-20/h1-14,21-22,25-28H,15-18H2
InChIKeyJMWPJVLDRFGSNE-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.39
Rot. Bonds12

About 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol

1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol (PubChem CID 2852501) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol
PubChem CID2852501
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol
SMILESOC(CNc1ccccc1)COc1ccc(OCC(O)CNc2ccccc2)cc1
InChIInChI=1S/C24H28N2O4/c27-21(15-25-19-7-3-1-4-8-19)17-29-23-11-13-24(14-12-23)30-18-22(28)16-26-20-9-5-2-6-10-20/h1-14,21-22,25-28H,15-18H2
InChIKeyJMWPJVLDRFGSNE-UHFFFAOYSA-N
XLogP3.39
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol 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 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol?
The IUPAC name of 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol (CID 2852501) is 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol.
What is the SMILES notation for 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol?
The canonical SMILES for 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol is OC(CNc1ccccc1)COc1ccc(OCC(O)CNc2ccccc2)cc1.
What is the InChIKey of 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol?
The InChIKey is JMWPJVLDRFGSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-21(15-25-19-7-3-1-4-8-19)17-29-23-11-13-24(14-12-23)30-18-22(28)16-26-20-9-5-2-6-10-20/h1-14,21-22,25-28H,15-18H2.
What are the key properties of 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol?
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol has a molecular weight of 408.50 g/mol, XLogP of 3.39, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]propan-2-ol is sourced from PubChem (CID 2852501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).