1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol

C22H33F3N2O2 — CID 54404567

IUPAC1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
SMILESCCC(O)C(N(C)CCN1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C22H33F3N2O2/c1-3-19(28)20(26(2)10-11-27-12-14-29-15-13-27)21(8-5-9-21)17-6-4-7-18(16-17)22(23,24)25/h4,6-7,16,19-20,28H,3,5,8-15H2,1-2H3
InChIKeyVPTLQLBCCUWWQN-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.53
Rot. Bonds8

About 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol

1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol (PubChem CID 54404567) has the molecular formula C22H33F3N2O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
PubChem CID54404567
Molecular FormulaC22H33F3N2O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC Name1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
SMILESCCC(O)C(N(C)CCN1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C22H33F3N2O2/c1-3-19(28)20(26(2)10-11-27-12-14-29-15-13-27)21(8-5-9-21)17-6-4-7-18(16-17)22(23,24)25/h4,6-7,16,19-20,28H,3,5,8-15H2,1-2H3
InChIKeyVPTLQLBCCUWWQN-UHFFFAOYSA-N
XLogP3.53
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol with MolForge

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Related Compounds

7-[1-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72127511
1-(3-Trifluoromethylbenzyl)-4-(2-hydroxy-3-n-hexadecyloxypropyl)piperazine
CID 13037796
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-[Bis(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 70409719
1-Amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-morpholin-4-ylpentan-3-ol
CID 70468374
1-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]nonadecane-2,3-diol
CID 70576906
(1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 147148297
1-[2-(2,6-Difluoro-3-propan-2-ylphenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039487
(3R,4S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-id-4-ol
CID 167488090

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The IUPAC name of 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol (CID 54404567) is 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol.
What is the SMILES notation for 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The canonical SMILES for 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol is CCC(O)C(N(C)CCN1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The InChIKey is VPTLQLBCCUWWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3N2O2/c1-3-19(28)20(26(2)10-11-27-12-14-29-15-13-27)21(8-5-9-21)17-6-4-7-18(16-17)22(23,24)25/h4,6-7,16,19-20,28H,3,5,8-15H2,1-2H3.
What are the key properties of 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol has a molecular weight of 414.51 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-morpholin-4-ylethyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol is sourced from PubChem (CID 54404567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).