4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

C23H37NO — CID 20502162

IUPAC4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(Cc1ccc(CC2CCCCC2)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C23H37NO/c1-18(15-24-16-19(2)25-20(3)17-24)13-22-9-11-23(12-10-22)14-21-7-5-4-6-8-21/h9-12,18-21H,4-8,13-17H2,1-3H3
InChIKeySPNXFCPHRAMAMM-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.10
Rot. Bonds6

About 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 20502162) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID20502162
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(Cc1ccc(CC2CCCCC2)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C23H37NO/c1-18(15-24-16-19(2)25-20(3)17-24)13-22-9-11-23(12-10-22)14-21-7-5-4-6-8-21/h9-12,18-21H,4-8,13-17H2,1-3H3
InChIKeySPNXFCPHRAMAMM-UHFFFAOYSA-N
XLogP5.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine (CID 20502162) is 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine is CC(Cc1ccc(CC2CCCCC2)cc1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is SPNXFCPHRAMAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-18(15-24-16-19(2)25-20(3)17-24)13-22-9-11-23(12-10-22)14-21-7-5-4-6-8-21/h9-12,18-21H,4-8,13-17H2,1-3H3.
What are the key properties of 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 343.56 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 20502162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).