3-(N-phenylanilino)propane-1,2-diol

C15H17NO2 — CID 2836165

IUPAC3-(N-phenylanilino)propane-1,2-diol
SMILESOCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO2/c17-12-15(18)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-18H,11-12H2
InChIKeyQXJMTHSWSAMWTP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.18
Rot. Bonds5

About 3-(N-phenylanilino)propane-1,2-diol

3-(N-phenylanilino)propane-1,2-diol (PubChem CID 2836165) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(N-phenylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(N-phenylanilino)propane-1,2-diol
PubChem CID2836165
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(N-phenylanilino)propane-1,2-diol
SMILESOCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO2/c17-12-15(18)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-18H,11-12H2
InChIKeyQXJMTHSWSAMWTP-UHFFFAOYSA-N
XLogP2.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(N-phenylanilino)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-(N-phenylanilino)propane-1,2-diol?
The IUPAC name of 3-(N-phenylanilino)propane-1,2-diol (CID 2836165) is 3-(N-phenylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(N-phenylanilino)propane-1,2-diol?
The canonical SMILES for 3-(N-phenylanilino)propane-1,2-diol is OCC(O)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(N-phenylanilino)propane-1,2-diol?
The InChIKey is QXJMTHSWSAMWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-12-15(18)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-18H,11-12H2.
What are the key properties of 3-(N-phenylanilino)propane-1,2-diol?
3-(N-phenylanilino)propane-1,2-diol has a molecular weight of 243.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-phenylanilino)propane-1,2-diol is sourced from PubChem (CID 2836165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).