1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one

C24H28F3NO3 — CID 162010183

IUPAC1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(C)c(OCCN3CCOCC3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H28F3NO3/c1-17-11-20(13-21(12-17)24(25,26)27)15-22(29)14-19-4-3-18(2)23(16-19)31-10-7-28-5-8-30-9-6-28/h3-4,11-13,16H,5-10,14-15H2,1-2H3
InChIKeyYTJBQJCHIXODEE-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.39
Rot. Bonds8

About 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one

1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 162010183) has the molecular formula C24H28F3NO3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
PubChem CID162010183
Molecular FormulaC24H28F3NO3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(C)c(OCCN3CCOCC3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H28F3NO3/c1-17-11-20(13-21(12-17)24(25,26)27)15-22(29)14-19-4-3-18(2)23(16-19)31-10-7-28-5-8-30-9-6-28/h3-4,11-13,16H,5-10,14-15H2,1-2H3
InChIKeyYTJBQJCHIXODEE-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 143232391
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine
CID 71106404
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-methyl-3-(2-piperazin-1-ylethoxy)phenyl]urea
CID 57403402
[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-[(3,4-dimethylphenyl)methyl]-4-[2-(2-morpholin-4-ylethoxy)ethyl]piperazin-1-yl]methanone
CID 87947253
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one (CID 162010183) is 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one is Cc1cc(CC(=O)Cc2ccc(C)c(OCCN3CCOCC3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is YTJBQJCHIXODEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3NO3/c1-17-11-20(13-21(12-17)24(25,26)27)15-22(29)14-19-4-3-18(2)23(16-19)31-10-7-28-5-8-30-9-6-28/h3-4,11-13,16H,5-10,14-15H2,1-2H3.
What are the key properties of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 435.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 162010183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).