1-benzhydryloxy-3-(dimethylamino)propan-2-ol

C18H23NO2 — CID 4316674

IUPAC1-benzhydryloxy-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-19(2)13-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18,20H,13-14H2,1-2H3
InChIKeyKUKQZFGQLWNHAT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds7

About 1-benzhydryloxy-3-(dimethylamino)propan-2-ol

1-benzhydryloxy-3-(dimethylamino)propan-2-ol (PubChem CID 4316674) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(dimethylamino)propan-2-ol
PubChem CID4316674
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-benzhydryloxy-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-19(2)13-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18,20H,13-14H2,1-2H3
InChIKeyKUKQZFGQLWNHAT-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzhydryloxy-3-(dimethylamino)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-benzhydryloxy-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(dimethylamino)propan-2-ol (CID 4316674) is 1-benzhydryloxy-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(dimethylamino)propan-2-ol is CN(C)CC(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryloxy-3-(dimethylamino)propan-2-ol?
The InChIKey is KUKQZFGQLWNHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)13-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18,20H,13-14H2,1-2H3.
What are the key properties of 1-benzhydryloxy-3-(dimethylamino)propan-2-ol?
1-benzhydryloxy-3-(dimethylamino)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 4316674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).