(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine

C15H20F3NO — CID 100629903

IUPAC(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine
SMILESCc1ccc([C@H]2CN(CCC(F)(F)F)CCO2)c(C)c1
InChIInChI=1S/C15H20F3NO/c1-11-3-4-13(12(2)9-11)14-10-19(7-8-20-14)6-5-15(16,17)18/h3-4,9,14H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyIVGAGQFJDYONSM-CQSZACIVSA-N
MW287.32 g/mol
LogP3.63
Rot. Bonds3

About (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine

(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine (PubChem CID 100629903) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine
PubChem CID100629903
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine
SMILESCc1ccc([C@H]2CN(CCC(F)(F)F)CCO2)c(C)c1
InChIInChI=1S/C15H20F3NO/c1-11-3-4-13(12(2)9-11)14-10-19(7-8-20-14)6-5-15(16,17)18/h3-4,9,14H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyIVGAGQFJDYONSM-CQSZACIVSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
CID 71977182
1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
CID 71869593
3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032919
3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
3-[2-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032139
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 75429794
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 75429793
3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 67033093
[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 126802530
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032548
(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
CID 97069785
3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 51002016

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine?
The IUPAC name of (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine (CID 100629903) is (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine?
The canonical SMILES for (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine is Cc1ccc([C@H]2CN(CCC(F)(F)F)CCO2)c(C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine?
The InChIKey is IVGAGQFJDYONSM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11-3-4-13(12(2)9-11)14-10-19(7-8-20-14)6-5-15(16,17)18/h3-4,9,14H,5-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine?
(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine has a molecular weight of 287.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine is sourced from PubChem (CID 100629903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).