3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol

C21H27NO2 — CID 46885515

IUPAC3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol
SMILESCC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3
InChIKeyDKXSPARARMBTSS-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.28
Rot. Bonds5

About 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol

3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol (PubChem CID 46885515) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol
PubChem CID46885515
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol
SMILESCC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3
InChIKeyDKXSPARARMBTSS-UHFFFAOYSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-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 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol?
The IUPAC name of 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol (CID 46885515) is 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol?
The canonical SMILES for 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol is CC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol?
The InChIKey is DKXSPARARMBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3.
What are the key properties of 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol?
3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol has a molecular weight of 325.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 46885515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).