4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine

C19H22ClNO — CID 72737767

IUPAC4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine
SMILESClc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2
InChIKeyCVKXGRRJHJHUFY-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.17
Rot. Bonds5

About 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine

4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine (PubChem CID 72737767) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine
PubChem CID72737767
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine
SMILESClc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2
InChIKeyCVKXGRRJHJHUFY-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)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-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine (CID 72737767) is 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine is Clc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine?
The InChIKey is CVKXGRRJHJHUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine?
4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine has a molecular weight of 315.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 72737767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).