4-(4-methylphenyl)-2-(2-phenylethyl)morpholine

C19H23NO — CID 72737764

IUPAC4-(4-methylphenyl)-2-(2-phenylethyl)morpholine
SMILESCc1ccc(N2CCOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO/c1-16-7-10-18(11-8-16)20-13-14-21-19(15-20)12-9-17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3
InChIKeyMJDMCGHHVIKECS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds4

About 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine

4-(4-methylphenyl)-2-(2-phenylethyl)morpholine (PubChem CID 72737764) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(2-phenylethyl)morpholine
PubChem CID72737764
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-(4-methylphenyl)-2-(2-phenylethyl)morpholine
SMILESCc1ccc(N2CCOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO/c1-16-7-10-18(11-8-16)20-13-14-21-19(15-20)12-9-17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3
InChIKeyMJDMCGHHVIKECS-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
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 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine (CID 72737764) is 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine is Cc1ccc(N2CCOC(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine?
The InChIKey is MJDMCGHHVIKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-16-7-10-18(11-8-16)20-13-14-21-19(15-20)12-9-17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3.
What are the key properties of 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine?
4-(4-methylphenyl)-2-(2-phenylethyl)morpholine has a molecular weight of 281.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 72737764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).