4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene

C56H72F13N3O3 — CID 158764938

IUPAC4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene
SMILESCOc1c(C)cc(OC(F)(F)F)cc1CCC(C)C.Cc1cc(CN2CCCC2)c(F)c(C(F)(F)F)c1.Cc1cc(CN2CCCCC2)c(C)c(C(F)(F)F)c1.Cc1cc(CN2CCOCC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N.C14H18F3NO.C14H19F3O2.C13H15F4N/c1-11-8-13(10-19-6-4-3-5-7-19)12(2)14(9-11)15(16,17)18;1-10-7-12(9-18-3-5-19-6-4-18)11(2)13(8-10)14(15,16)17;1-9(2)5-6-11-8-12(19-14(15,16)17)7-10(3)13(11)18-4;1-9-6-10(8-18-4-2-3-5-18)12(14)11(7-9)13(15,16)17/h8-9H,3-7,10H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-9H,5-6H2,1-4H3;6-7H,2-5,8H2,1H3
InChIKeyIPDDYCJJRDTEPL-UHFFFAOYSA-N
MW1082.18 g/mol
LogP15.70
Rot. Bonds11

About 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene

4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene (PubChem CID 158764938) has the molecular formula C56H72F13N3O3 and a molecular weight of 1082.18 g/mol. Its IUPAC name is 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene
PubChem CID158764938
Molecular FormulaC56H72F13N3O3
Molecular Weight1082.18 g/mol
Exact Mass1081.54
IUPAC Name4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene
SMILESCOc1c(C)cc(OC(F)(F)F)cc1CCC(C)C.Cc1cc(CN2CCCC2)c(F)c(C(F)(F)F)c1.Cc1cc(CN2CCCCC2)c(C)c(C(F)(F)F)c1.Cc1cc(CN2CCOCC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N.C14H18F3NO.C14H19F3O2.C13H15F4N/c1-11-8-13(10-19-6-4-3-5-7-19)12(2)14(9-11)15(16,17)18;1-10-7-12(9-18-3-5-19-6-4-18)11(2)13(8-10)14(15,16)17;1-9(2)5-6-11-8-12(19-14(15,16)17)7-10(3)13(11)18-4;1-9-6-10(8-18-4-2-3-5-18)12(14)11(7-9)13(15,16)17/h8-9H,3-7,10H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-9H,5-6H2,1-4H3;6-7H,2-5,8H2,1H3
InChIKeyIPDDYCJJRDTEPL-UHFFFAOYSA-N
XLogP15.70
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.18
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene with MolForge

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Related Compounds

ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate
CID 175535897
2-tert-butyl-1-chloro-4-methylbenzene;2,5-dimethyl-1-(4-methylpentyl)-3-(trifluoromethyl)benzene;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;4-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-1,4-oxazepane;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine;2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine
CID 160606787
4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 157042080
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
CID 58662167
ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine
CID 156721917
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
CID 117429093
4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
CID 146419337
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine
CID 21060369
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973

Frequently Asked Questions

What is the IUPAC name of 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene?
The IUPAC name of 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene (CID 158764938) is 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene?
The canonical SMILES for 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene is COc1c(C)cc(OC(F)(F)F)cc1CCC(C)C.Cc1cc(CN2CCCC2)c(F)c(C(F)(F)F)c1.Cc1cc(CN2CCCCC2)c(C)c(C(F)(F)F)c1.Cc1cc(CN2CCOCC2)c(C)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene?
The InChIKey is IPDDYCJJRDTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N.C14H18F3NO.C14H19F3O2.C13H15F4N/c1-11-8-13(10-19-6-4-3-5-7-19)12(2)14(9-11)15(16,17)18;1-10-7-12(9-18-3-5-19-6-4-18)11(2)13(8-10)14(15,16)17;1-9(2)5-6-11-8-12(19-14(15,16)17)7-10(3)13(11)18-4;1-9-6-10(8-18-4-2-3-5-18)12(14)11(7-9)13(15,16)17/h8-9H,3-7,10H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-9H,5-6H2,1-4H3;6-7H,2-5,8H2,1H3.
What are the key properties of 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene?
4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene has a molecular weight of 1082.18 g/mol, XLogP of 15.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]morpholine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]piperidine;1-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;2-methoxy-1-methyl-3-(3-methylbutyl)-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 158764938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).