4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid

C21H23ClF3NO3 — CID 72737737

IUPAC4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22ClNO.C2HF3O2/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;3-2(4,5)1(6)7/h1-7,9-10,19H,8,11-15H2;(H,6,7)
InChIKeyMDZJIKAOZXOXIP-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.81
Rot. Bonds5

About 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid

4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 72737737) has the molecular formula C21H23ClF3NO3 and a molecular weight of 429.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID72737737
Molecular FormulaC21H23ClF3NO3
Molecular Weight429.87 g/mol
Exact Mass429.13
IUPAC Name4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22ClNO.C2HF3O2/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;3-2(4,5)1(6)7/h1-7,9-10,19H,8,11-15H2;(H,6,7)
InChIKeyMDZJIKAOZXOXIP-UHFFFAOYSA-N
XLogP4.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid (CID 72737737) is 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid is Clc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is MDZJIKAOZXOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO.C2HF3O2/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;3-2(4,5)1(6)7/h1-7,9-10,19H,8,11-15H2;(H,6,7).
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid?
4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 429.87 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 72737737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).