2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine

C18H20ClNO — CID 105058720

IUPAC2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine
SMILESCC1NC(C)(c2ccccc2)COC1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-13-17(14-8-10-16(19)11-9-14)21-12-18(2,20-13)15-6-4-3-5-7-15/h3-11,13,17,20H,12H2,1-2H3
InChIKeyDTAAYPXABQCCII-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.30
Rot. Bonds2

About 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine

2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine (PubChem CID 105058720) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine
PubChem CID105058720
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine
SMILESCC1NC(C)(c2ccccc2)COC1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-13-17(14-8-10-16(19)11-9-14)21-12-18(2,20-13)15-6-4-3-5-7-15/h3-11,13,17,20H,12H2,1-2H3
InChIKeyDTAAYPXABQCCII-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine?
The IUPAC name of 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine (CID 105058720) is 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine?
The canonical SMILES for 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine is CC1NC(C)(c2ccccc2)COC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine?
The InChIKey is DTAAYPXABQCCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-17(14-8-10-16(19)11-9-14)21-12-18(2,20-13)15-6-4-3-5-7-15/h3-11,13,17,20H,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine?
2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine has a molecular weight of 301.82 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,5-dimethyl-5-phenylmorpholine is sourced from PubChem (CID 105058720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).