2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride

C17H22ClNO3 — CID 2979184

IUPAC2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride
SMILESCl.OCC(CO)(CO)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO3.ClH/c19-11-17(12-20,13-21)18-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15;/h1-9,18-21H,10-13H2;1H
InChIKeyWSNRBNNBLOVFDM-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.58
Rot. Bonds7

About 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride

2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride (PubChem CID 2979184) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride
PubChem CID2979184
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride
SMILESCl.OCC(CO)(CO)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO3.ClH/c19-11-17(12-20,13-21)18-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15;/h1-9,18-21H,10-13H2;1H
InChIKeyWSNRBNNBLOVFDM-UHFFFAOYSA-N
XLogP1.58
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride 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-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride?
The IUPAC name of 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride (CID 2979184) is 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride is Cl.OCC(CO)(CO)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride?
The InChIKey is WSNRBNNBLOVFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c19-11-17(12-20,13-21)18-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15;/h1-9,18-21H,10-13H2;1H.
What are the key properties of 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride?
2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(4-phenylphenyl)methylamino]propane-1,3-diol;hydrochloride is sourced from PubChem (CID 2979184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).