1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine

C22H35F3N2O2 — CID 19823809

IUPAC1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine
SMILESC1COCCN1.CCC(O)C(N(C)CC)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO.C4H9NO/c1-4-15(23)16(22(3)5-2)17(10-7-11-17)13-8-6-9-14(12-13)18(19,20)21;1-3-6-4-2-5-1/h6,8-9,12,15-16,23H,4-5,7,10-11H2,1-3H3;5H,1-4H2
InChIKeyDVFVAUHJSZWITJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.82
Rot. Bonds6

About 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine

1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine (PubChem CID 19823809) has the molecular formula C22H35F3N2O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine
PubChem CID19823809
Molecular FormulaC22H35F3N2O2
Molecular Weight416.53 g/mol
Exact Mass416.27
IUPAC Name1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine
SMILESC1COCCN1.CCC(O)C(N(C)CC)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO.C4H9NO/c1-4-15(23)16(22(3)5-2)17(10-7-11-17)13-8-6-9-14(12-13)18(19,20)21;1-3-6-4-2-5-1/h6,8-9,12,15-16,23H,4-5,7,10-11H2,1-3H3;5H,1-4H2
InChIKeyDVFVAUHJSZWITJ-UHFFFAOYSA-N
XLogP3.82
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride
CID 19823644
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol
CID 19823645
4-Amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methyl-1-morpholin-4-ylbutan-2-ol
CID 19823711
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823734
1,1,1-Trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol
CID 54171615
1-[Methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 54404567
(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methyl-4-propylpiperidin-2-yl]propan-1-ol
CID 59757762
(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol
CID 59757767
(1S,2S)-2-amino-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2-ethyl-2-methylbutoxy)-5-methylmorpholin-3-yl]propan-1-ol
CID 68559714
(1S,2S)-2-amino-1-[(3R,5S,6R)-6-[3-fluoro-2-(fluoromethyl)-2-methylpropoxy]-5-methylmorpholin-3-yl]-3-[3-fluoro-5-(3-methylbutyl)phenyl]propan-1-ol
CID 68563671
(1S,2S)-2-amino-1-[(3R,5S,6R)-6-[3-fluoro-2-(fluoromethyl)-2-methylpropoxy]-5-methylmorpholin-3-yl]-3-[3-(3-methylbutyl)phenyl]propan-1-ol
CID 68563808
(2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol
CID 69148012

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine?
The IUPAC name of 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine (CID 19823809) is 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine.
What is the SMILES notation for 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine?
The canonical SMILES for 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine is C1COCCN1.CCC(O)C(N(C)CC)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine?
The InChIKey is DVFVAUHJSZWITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO.C4H9NO/c1-4-15(23)16(22(3)5-2)17(10-7-11-17)13-8-6-9-14(12-13)18(19,20)21;1-3-6-4-2-5-1/h6,8-9,12,15-16,23H,4-5,7,10-11H2,1-3H3;5H,1-4H2.
What are the key properties of 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine?
1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine has a molecular weight of 416.53 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine is sourced from PubChem (CID 19823809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).