3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine

C23H31NO — CID 2803142

IUPAC3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
SMILESCc1c(C)c(C)c(CN2CCOC(c3ccccc3)C2C)c(C)c1C
InChIInChI=1S/C23H31NO/c1-15-16(2)18(4)22(19(5)17(15)3)14-24-12-13-25-23(20(24)6)21-10-8-7-9-11-21/h7-11,20,23H,12-14H2,1-6H3
InChIKeyXAWSJSWJLFVTLP-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.19
Rot. Bonds3

About 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine

3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine (PubChem CID 2803142) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
PubChem CID2803142
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
SMILESCc1c(C)c(C)c(CN2CCOC(c3ccccc3)C2C)c(C)c1C
InChIInChI=1S/C23H31NO/c1-15-16(2)18(4)22(19(5)17(15)3)14-24-12-13-25-23(20(24)6)21-10-8-7-9-11-21/h7-11,20,23H,12-14H2,1-6H3
InChIKeyXAWSJSWJLFVTLP-UHFFFAOYSA-N
XLogP5.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
The IUPAC name of 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine (CID 2803142) is 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine.
What is the SMILES notation for 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
The canonical SMILES for 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine is Cc1c(C)c(C)c(CN2CCOC(c3ccccc3)C2C)c(C)c1C.
What is the InChIKey of 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
The InChIKey is XAWSJSWJLFVTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-15-16(2)18(4)22(19(5)17(15)3)14-24-12-13-25-23(20(24)6)21-10-8-7-9-11-21/h7-11,20,23H,12-14H2,1-6H3.
What are the key properties of 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine has a molecular weight of 337.51 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 2803142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).