2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol

C20H27NO — CID 3054346

IUPAC2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol
SMILESCCN(CC)CC(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-3-21(4-2)17-20(22,15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14,22H,3-4,15-17H2,1-2H3
InChIKeyUXFYBRSMEPQXSG-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.54
Rot. Bonds8

About 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol

2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol (PubChem CID 3054346) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol
PubChem CID3054346
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol
SMILESCCN(CC)CC(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-3-21(4-2)17-20(22,15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14,22H,3-4,15-17H2,1-2H3
InChIKeyUXFYBRSMEPQXSG-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-1-(diethylamino)-3-phenylpropan-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 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol?
The IUPAC name of 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol (CID 3054346) is 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol.
What is the SMILES notation for 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol?
The canonical SMILES for 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol is CCN(CC)CC(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol?
The InChIKey is UXFYBRSMEPQXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-21(4-2)17-20(22,15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14,22H,3-4,15-17H2,1-2H3.
What are the key properties of 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol?
2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol has a molecular weight of 297.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 3054346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).