3-benzhydrylmorpholine

C17H19NO — CID 57466051

IUPAC3-benzhydrylmorpholine
SMILESc1ccc(C(c2ccccc2)C2COCCN2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16-13-19-12-11-18-16/h1-10,16-18H,11-13H2
InChIKeyOVLYYUBKZWEOEQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.81
Rot. Bonds3

About 3-benzhydrylmorpholine

3-benzhydrylmorpholine (PubChem CID 57466051) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-benzhydrylmorpholine.

Molecular Properties

Compound Name3-benzhydrylmorpholine
PubChem CID57466051
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-benzhydrylmorpholine
SMILESc1ccc(C(c2ccccc2)C2COCCN2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16-13-19-12-11-18-16/h1-10,16-18H,11-13H2
InChIKeyOVLYYUBKZWEOEQ-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzhydrylmorpholine 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-benzhydrylmorpholine?
The IUPAC name of 3-benzhydrylmorpholine (CID 57466051) is 3-benzhydrylmorpholine.
What is the SMILES notation for 3-benzhydrylmorpholine?
The canonical SMILES for 3-benzhydrylmorpholine is c1ccc(C(c2ccccc2)C2COCCN2)cc1.
What is the InChIKey of 3-benzhydrylmorpholine?
The InChIKey is OVLYYUBKZWEOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16-13-19-12-11-18-16/h1-10,16-18H,11-13H2.
What are the key properties of 3-benzhydrylmorpholine?
3-benzhydrylmorpholine has a molecular weight of 253.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylmorpholine is sourced from PubChem (CID 57466051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).