3-(4-indol-1-ylanilino)propane-1,2-diol

C17H18N2O2 — CID 168596516

IUPAC3-(4-indol-1-ylanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c20-12-16(21)11-18-14-5-7-15(8-6-14)19-10-9-13-3-1-2-4-17(13)19/h1-10,16,18,20-21H,11-12H2
InChIKeyRJPZJIWJVNIVPA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.40
Rot. Bonds5

About 3-(4-indol-1-ylanilino)propane-1,2-diol

3-(4-indol-1-ylanilino)propane-1,2-diol (PubChem CID 168596516) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(4-indol-1-ylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-indol-1-ylanilino)propane-1,2-diol
PubChem CID168596516
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(4-indol-1-ylanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c20-12-16(21)11-18-14-5-7-15(8-6-14)19-10-9-13-3-1-2-4-17(13)19/h1-10,16,18,20-21H,11-12H2
InChIKeyRJPZJIWJVNIVPA-UHFFFAOYSA-N
XLogP2.40
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(4-indol-1-ylanilino)propane-1,2-diol 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 3-(4-indol-1-ylanilino)propane-1,2-diol?
The IUPAC name of 3-(4-indol-1-ylanilino)propane-1,2-diol (CID 168596516) is 3-(4-indol-1-ylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(4-indol-1-ylanilino)propane-1,2-diol?
The canonical SMILES for 3-(4-indol-1-ylanilino)propane-1,2-diol is OCC(O)CNc1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 3-(4-indol-1-ylanilino)propane-1,2-diol?
The InChIKey is RJPZJIWJVNIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-12-16(21)11-18-14-5-7-15(8-6-14)19-10-9-13-3-1-2-4-17(13)19/h1-10,16,18,20-21H,11-12H2.
What are the key properties of 3-(4-indol-1-ylanilino)propane-1,2-diol?
3-(4-indol-1-ylanilino)propane-1,2-diol has a molecular weight of 282.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-indol-1-ylanilino)propane-1,2-diol is sourced from PubChem (CID 168596516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).