4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline

C22H26F6N2O — CID 143086063

IUPAC4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)ccc1N(C)C.Cc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C12H14F3NO.C10H12F3N/c1-9-8-10(12(13,14)15)2-3-11(9)16-4-6-17-7-5-16;1-7-6-8(10(11,12)13)4-5-9(7)14(2)3/h2-3,8H,4-7H2,1H3;4-6H,1-3H3
InChIKeyCUHWXMFOQDBXCY-UHFFFAOYSA-N
MW448.45 g/mol
LogP5.93
Rot. Bonds2

About 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline

4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline (PubChem CID 143086063) has the molecular formula C22H26F6N2O and a molecular weight of 448.45 g/mol. Its IUPAC name is 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
PubChem CID143086063
Molecular FormulaC22H26F6N2O
Molecular Weight448.45 g/mol
Exact Mass448.19
IUPAC Name4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)ccc1N(C)C.Cc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C12H14F3NO.C10H12F3N/c1-9-8-10(12(13,14)15)2-3-11(9)16-4-6-17-7-5-16;1-7-6-8(10(11,12)13)4-5-9(7)14(2)3/h2-3,8H,4-7H2,1H3;4-6H,1-3H3
InChIKeyCUHWXMFOQDBXCY-UHFFFAOYSA-N
XLogP5.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hept-1-en-3-one;4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine
CID 177034521
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine
CID 7730550
3-methyl-4-morpholin-4-ylaniline
CID 10607787
[2-(dimethylamino)-5-(trifluoromethyl)phenyl]boronic acid
CID 91758868
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
3-[methyl-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 122073939

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline (CID 143086063) is 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline is Cc1cc(C(F)(F)F)ccc1N(C)C.Cc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline?
The InChIKey is CUHWXMFOQDBXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.C10H12F3N/c1-9-8-10(12(13,14)15)2-3-11(9)16-4-6-17-7-5-16;1-7-6-8(10(11,12)13)4-5-9(7)14(2)3/h2-3,8H,4-7H2,1H3;4-6H,1-3H3.
What are the key properties of 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline?
4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline has a molecular weight of 448.45 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 143086063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).