2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine

C20H25NO — CID 123412712

IUPAC2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CCOC(Cc3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C20H25NO/c1-15-4-6-19(7-5-15)21-8-9-22-20(14-21)13-18-11-16(2)10-17(3)12-18/h4-7,10-12,20H,8-9,13-14H2,1-3H3
InChIKeyJAZMWJBRIPGZTM-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.06
Rot. Bonds3

About 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine

2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine (PubChem CID 123412712) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine
PubChem CID123412712
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CCOC(Cc3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C20H25NO/c1-15-4-6-19(7-5-15)21-8-9-22-20(14-21)13-18-11-16(2)10-17(3)12-18/h4-7,10-12,20H,8-9,13-14H2,1-3H3
InChIKeyJAZMWJBRIPGZTM-UHFFFAOYSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine (CID 123412712) is 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine is Cc1ccc(N2CCOC(Cc3cc(C)cc(C)c3)C2)cc1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine?
The InChIKey is JAZMWJBRIPGZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-4-6-19(7-5-15)21-8-9-22-20(14-21)13-18-11-16(2)10-17(3)12-18/h4-7,10-12,20H,8-9,13-14H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine?
2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine has a molecular weight of 295.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine is sourced from PubChem (CID 123412712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).