4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine

C20H25ClN2O — CID 21149892

IUPAC4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine
SMILESCc1cc(C(CCN2CCOCC2)c2ccccc2Cl)cc(C)n1
InChIInChI=1S/C20H25ClN2O/c1-15-13-17(14-16(2)22-15)18(19-5-3-4-6-20(19)21)7-8-23-9-11-24-12-10-23/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyXRVKTUNVDRHIHI-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.21
Rot. Bonds5

About 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine

4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine (PubChem CID 21149892) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine
PubChem CID21149892
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine
SMILESCc1cc(C(CCN2CCOCC2)c2ccccc2Cl)cc(C)n1
InChIInChI=1S/C20H25ClN2O/c1-15-13-17(14-16(2)22-15)18(19-5-3-4-6-20(19)21)7-8-23-9-11-24-12-10-23/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyXRVKTUNVDRHIHI-UHFFFAOYSA-N
XLogP4.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine 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-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine?
The IUPAC name of 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine (CID 21149892) is 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine?
The canonical SMILES for 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine is Cc1cc(C(CCN2CCOCC2)c2ccccc2Cl)cc(C)n1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine?
The InChIKey is XRVKTUNVDRHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-15-13-17(14-16(2)22-15)18(19-5-3-4-6-20(19)21)7-8-23-9-11-24-12-10-23/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine?
4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine has a molecular weight of 344.89 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine is sourced from PubChem (CID 21149892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).