2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine

C17H18ClNO — CID 105058693

IUPAC2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine
SMILESCC1(c2ccccc2)COC(c2ccc(Cl)cc2)CN1
InChIInChI=1S/C17H18ClNO/c1-17(14-5-3-2-4-6-14)12-20-16(11-19-17)13-7-9-15(18)10-8-13/h2-10,16,19H,11-12H2,1H3
InChIKeySNXKPJYUESRWNC-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.92
Rot. Bonds2

About 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine

2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine (PubChem CID 105058693) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine
PubChem CID105058693
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine
SMILESCC1(c2ccccc2)COC(c2ccc(Cl)cc2)CN1
InChIInChI=1S/C17H18ClNO/c1-17(14-5-3-2-4-6-14)12-20-16(11-19-17)13-7-9-15(18)10-8-13/h2-10,16,19H,11-12H2,1H3
InChIKeySNXKPJYUESRWNC-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine (CID 105058693) is 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine is CC1(c2ccccc2)COC(c2ccc(Cl)cc2)CN1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine?
The InChIKey is SNXKPJYUESRWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-17(14-5-3-2-4-6-14)12-20-16(11-19-17)13-7-9-15(18)10-8-13/h2-10,16,19H,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine?
2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine has a molecular weight of 287.79 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-5-phenylmorpholine is sourced from PubChem (CID 105058693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).