2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine

C76H94F18N6O6 — CID 161452057

IUPAC2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccc(C(F)(F)F)cc1C.Cc1cc(CCC(C)C)c(C)c(C(F)(F)F)c1.Cc1cc(OC(F)(F)F)cc(C2=CCNCC2)c1.Cc1cc(OC(F)(F)F)cc(N(C)C2CCN(C)C2)c1.Cc1cc(OC(F)(F)F)cc(N2CCC(N(C)C)C2)c1.Cc1cc(OC(F)(F)F)cc(N2CCOCC2)c1
InChIInChI=1S/2C14H19F3N2O.C14H19F3.C13H14F3NO.C12H14F3NO2.C9H9F3O/c1-10-6-12(8-13(7-10)20-14(15,16)17)19(3)11-4-5-18(2)9-11;1-10-6-12(8-13(7-10)20-14(15,16)17)19-5-4-11(9-19)18(2)3;1-9(2)5-6-12-7-10(3)8-13(11(12)4)14(15,16)17;1-9-6-11(10-2-4-17-5-3-10)8-12(7-9)18-13(14,15)16;1-9-6-10(16-2-4-17-5-3-16)8-11(7-9)18-12(13,14)15;1-6-5-7(9(10,11)12)3-4-8(6)13-2/h2*6-8,11H,4-5,9H2,1-3H3;7-9H,5-6H2,1-4H3;2,6-8,17H,3-5H2,1H3;6-8H,2-5H2,1H3;3-5H,1-2H3
InChIKeyWAQSRUZESVDTSU-UHFFFAOYSA-N
MW1529.59 g/mol
LogP20.00
Rot. Bonds14

About 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine

2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 161452057) has the molecular formula C76H94F18N6O6 and a molecular weight of 1529.59 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID161452057
Molecular FormulaC76H94F18N6O6
Molecular Weight1529.59 g/mol
Exact Mass1528.69
IUPAC Name2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccc(C(F)(F)F)cc1C.Cc1cc(CCC(C)C)c(C)c(C(F)(F)F)c1.Cc1cc(OC(F)(F)F)cc(C2=CCNCC2)c1.Cc1cc(OC(F)(F)F)cc(N(C)C2CCN(C)C2)c1.Cc1cc(OC(F)(F)F)cc(N2CCC(N(C)C)C2)c1.Cc1cc(OC(F)(F)F)cc(N2CCOCC2)c1
InChIInChI=1S/2C14H19F3N2O.C14H19F3.C13H14F3NO.C12H14F3NO2.C9H9F3O/c1-10-6-12(8-13(7-10)20-14(15,16)17)19(3)11-4-5-18(2)9-11;1-10-6-12(8-13(7-10)20-14(15,16)17)19-5-4-11(9-19)18(2)3;1-9(2)5-6-12-7-10(3)8-13(11(12)4)14(15,16)17;1-9-6-11(10-2-4-17-5-3-10)8-12(7-9)18-13(14,15)16;1-9-6-10(16-2-4-17-5-3-16)8-11(7-9)18-12(13,14)15;1-6-5-7(9(10,11)12)3-4-8(6)13-2/h2*6-8,11H,4-5,9H2,1-3H3;7-9H,5-6H2,1-4H3;2,6-8,17H,3-5H2,1H3;6-8H,2-5H2,1H3;3-5H,1-2H3
InChIKeyWAQSRUZESVDTSU-UHFFFAOYSA-N
XLogP20.00
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.59
LogP ≤ 520.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine with MolForge

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Related Compounds

6-[2-[3-[4-[2-(7-Azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-fluorophenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626308
6-[2-[1-[4-[2-(7-Azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-fluorophenyl]propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626309
(6R)-6-[2-[3-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-fluorophenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626794
6-{2-{{4-[2-(7-Azabicyclo[2.2.1]hept-7-yl)ethoxy]-3-fluorobenzyl}methylamino}-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66628190
N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine
CID 157073609
N,N-diethyl-2-methyl-4-(trifluoromethyl)aniline;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 157544711
1-butoxy-2-methyl-4-(trifluoromethyl)benzene;N,N-diethyl-2-methyl-4-(trifluoromethyl)aniline;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 157593794
1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-3-propan-2-ylbenzene;1-methyl-3-(trifluoromethoxy)benzene;bis(1-methyl-3-(trifluoromethyl)benzene);4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 158789453
2-tert-butyl-1-chloro-4-methylbenzene;1-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-4-ethylpiperazine;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]morpholine;4-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-1,4-oxazepane;1-[2,3-dimethyl-5-(trifluoromethyl)phenyl]pyrrolidine;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine;1-[2-methoxy-5-methyl-3-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine
CID 159780866
2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;2,5-dimethyl-1-(4-methylpentyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 161338789
N,N-diethyl-2-methyl-4-(trifluoromethyl)aniline;N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine;4-[3-methyl-4-(trifluoromethyl)phenoxy]piperidine;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 161882311
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 175567950

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine (CID 161452057) is 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine is COc1ccc(C(F)(F)F)cc1C.Cc1cc(CCC(C)C)c(C)c(C(F)(F)F)c1.Cc1cc(OC(F)(F)F)cc(C2=CCNCC2)c1.Cc1cc(OC(F)(F)F)cc(N(C)C2CCN(C)C2)c1.Cc1cc(OC(F)(F)F)cc(N2CCC(N(C)C)C2)c1.Cc1cc(OC(F)(F)F)cc(N2CCOCC2)c1.
What is the InChIKey of 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is WAQSRUZESVDTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H19F3N2O.C14H19F3.C13H14F3NO.C12H14F3NO2.C9H9F3O/c1-10-6-12(8-13(7-10)20-14(15,16)17)19(3)11-4-5-18(2)9-11;1-10-6-12(8-13(7-10)20-14(15,16)17)19-5-4-11(9-19)18(2)3;1-9(2)5-6-12-7-10(3)8-13(11(12)4)14(15,16)17;1-9-6-11(10-2-4-17-5-3-10)8-12(7-9)18-13(14,15)16;1-9-6-10(16-2-4-17-5-3-16)8-11(7-9)18-12(13,14)15;1-6-5-7(9(10,11)12)3-4-8(6)13-2/h2*6-8,11H,4-5,9H2,1-3H3;7-9H,5-6H2,1-4H3;2,6-8,17H,3-5H2,1H3;6-8H,2-5H2,1H3;3-5H,1-2H3.
What are the key properties of 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 1529.59 g/mol, XLogP of 20.00, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylbutyl)-3-(trifluoromethyl)benzene;N,N-dimethyl-1-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;N,1-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]pyrrolidin-3-amine;1-methoxy-2-methyl-4-(trifluoromethyl)benzene;4-[3-methyl-5-(trifluoromethoxy)phenyl]morpholine;4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 161452057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).