4-benzhydrylmorpholine

C17H19NO — CID 4585434

IUPAC4-benzhydrylmorpholine
SMILESc1ccc(C(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)18-11-13-19-14-12-18/h1-10,17H,11-14H2
InChIKeyBVAGWPQUSZNDGI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.11
Rot. Bonds3

About 4-benzhydrylmorpholine

4-benzhydrylmorpholine (PubChem CID 4585434) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-benzhydrylmorpholine.

Molecular Properties

Compound Name4-benzhydrylmorpholine
PubChem CID4585434
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-benzhydrylmorpholine
SMILESc1ccc(C(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)18-11-13-19-14-12-18/h1-10,17H,11-14H2
InChIKeyBVAGWPQUSZNDGI-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2,2-Diphenylethyl)morpholine
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CID 71135
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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylmorpholine?
The IUPAC name of 4-benzhydrylmorpholine (CID 4585434) is 4-benzhydrylmorpholine.
What is the SMILES notation for 4-benzhydrylmorpholine?
The canonical SMILES for 4-benzhydrylmorpholine is c1ccc(C(c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-benzhydrylmorpholine?
The InChIKey is BVAGWPQUSZNDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)18-11-13-19-14-12-18/h1-10,17H,11-14H2.
What are the key properties of 4-benzhydrylmorpholine?
4-benzhydrylmorpholine has a molecular weight of 253.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylmorpholine is sourced from PubChem (CID 4585434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).