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

C136H175ClF27N11O5 — CID 159780866

IUPAC2-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
SMILESCCN1CCN(c2cc(C(F)(F)F)cc(C)c2C)CC1.COCCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1.COc1c(CN(C)C)cc(C)cc1C(F)(F)F.Cc1cc(C(F)(F)F)cc(N2CCCC2)c1C.Cc1cc(C(F)(F)F)cc(N2CCCOCC2)c1C.Cc1cc(C(F)(F)F)cc(N2CCOCC2)c1C.Cc1cc(C2=CCN(C)CC2)c(C)c(C(F)(F)F)c1.Cc1cc(C2=CCNCC2)c(C)c(C(F)(F)F)c1.Cc1cc(CN2CCCC2)c(C)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H21F3N2O2.C15H21F3N2.C15H18F3N.C14H18F3NO.C14H16F3N.C14H18F3N.C13H16F3NO.C13H16F3N.C12H16F3NO.C11H15Cl/c1-12-9-13(11-14(10-12)22-15(16,17)18)20-5-3-19(4-6-20)7-8-21-2;1-4-19-5-7-20(8-6-19)14-10-13(15(16,17)18)9-11(2)12(14)3;1-10-8-13(12-4-6-19(3)7-5-12)11(2)14(9-10)15(16,17)18;1-10-8-12(14(15,16)17)9-13(11(10)2)18-4-3-6-19-7-5-18;1-9-7-12(11-3-5-18-6-4-11)10(2)13(8-9)14(15,16)17;1-10-7-12(9-18-5-3-4-6-18)11(2)13(8-10)14(15,16)17;1-9-7-11(13(14,15)16)8-12(10(9)2)17-3-5-18-6-4-17;1-9-7-11(13(14,15)16)8-12(10(9)2)17-5-3-4-6-17;1-8-5-9(7-16(2)3)11(17-4)10(6-8)12(13,14)15;1-8-5-6-10(12)9(7-8)11(2,3)4/h9-11H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;4,8-9H,5-7H2,1-3H3;8-9H,3-7H2,1-2H3;3,7-8,18H,4-6H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,7H2,1-4H3;5-7H,1-4H3
InChIKeyNHIOZLKXNABPOC-UHFFFAOYSA-N
MW2592.37 g/mol
LogP35.44
Rot. Bonds17

About 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

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 (PubChem CID 159780866) has the molecular formula C136H175ClF27N11O5 and a molecular weight of 2592.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159780866
Molecular FormulaC136H175ClF27N11O5
Molecular Weight2592.37 g/mol
Exact Mass2590.30
IUPAC Name2-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
SMILESCCN1CCN(c2cc(C(F)(F)F)cc(C)c2C)CC1.COCCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1.COc1c(CN(C)C)cc(C)cc1C(F)(F)F.Cc1cc(C(F)(F)F)cc(N2CCCC2)c1C.Cc1cc(C(F)(F)F)cc(N2CCCOCC2)c1C.Cc1cc(C(F)(F)F)cc(N2CCOCC2)c1C.Cc1cc(C2=CCN(C)CC2)c(C)c(C(F)(F)F)c1.Cc1cc(C2=CCNCC2)c(C)c(C(F)(F)F)c1.Cc1cc(CN2CCCC2)c(C)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H21F3N2O2.C15H21F3N2.C15H18F3N.C14H18F3NO.C14H16F3N.C14H18F3N.C13H16F3NO.C13H16F3N.C12H16F3NO.C11H15Cl/c1-12-9-13(11-14(10-12)22-15(16,17)18)20-5-3-19(4-6-20)7-8-21-2;1-4-19-5-7-20(8-6-19)14-10-13(15(16,17)18)9-11(2)12(14)3;1-10-8-13(12-4-6-19(3)7-5-12)11(2)14(9-10)15(16,17)18;1-10-8-12(14(15,16)17)9-13(11(10)2)18-4-3-6-19-7-5-18;1-9-7-12(11-3-5-18-6-4-11)10(2)13(8-9)14(15,16)17;1-10-7-12(9-18-5-3-4-6-18)11(2)13(8-10)14(15,16)17;1-9-7-11(13(14,15)16)8-12(10(9)2)17-3-5-18-6-4-17;1-9-7-11(13(14,15)16)8-12(10(9)2)17-5-3-4-6-17;1-8-5-9(7-16(2)3)11(17-4)10(6-8)12(13,14)15;1-8-5-6-10(12)9(7-8)11(2,3)4/h9-11H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;4,8-9H,5-7H2,1-3H3;8-9H,3-7H2,1-2H3;3,7-8,18H,4-6H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,7H2,1-4H3;5-7H,1-4H3
InChIKeyNHIOZLKXNABPOC-UHFFFAOYSA-N
XLogP35.44
TPSA90.58 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002592.37
LogP ≤ 535.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

5-tert-butyl-2-methoxy-N,3-dimethyl-N-prop-2-enylaniline;N-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine;1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methyl-1,4-diazepane;N'-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[3-methyl-5-(trifluoromethoxy)phenyl]ethane-1,2-diamine;1-ethyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 157745371
4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-3-methylbenzene;2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline;1-chloro-4-methyl-2-(trifluoromethyl)benzene;1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 158018266
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 158167226
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
1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 161193539
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
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
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 161830943
US20250206759, Example 1
CID 177373202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCN(c2cc(C(F)(F)F)cc(C)c2C)CC1.COCCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1.COc1c(CN(C)C)cc(C)cc1C(F)(F)F.Cc1cc(C(F)(F)F)cc(N2CCCC2)c1C.Cc1cc(C(F)(F)F)cc(N2CCCOCC2)c1C.Cc1cc(C(F)(F)F)cc(N2CCOCC2)c1C.Cc1cc(C2=CCN(C)CC2)c(C)c(C(F)(F)F)c1.Cc1cc(C2=CCNCC2)c(C)c(C(F)(F)F)c1.Cc1cc(CN2CCCC2)c(C)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is NHIOZLKXNABPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2.C15H21F3N2.C15H18F3N.C14H18F3NO.C14H16F3N.C14H18F3N.C13H16F3NO.C13H16F3N.C12H16F3NO.C11H15Cl/c1-12-9-13(11-14(10-12)22-15(16,17)18)20-5-3-19(4-6-20)7-8-21-2;1-4-19-5-7-20(8-6-19)14-10-13(15(16,17)18)9-11(2)12(14)3;1-10-8-13(12-4-6-19(3)7-5-12)11(2)14(9-10)15(16,17)18;1-10-8-12(14(15,16)17)9-13(11(10)2)18-4-3-6-19-7-5-18;1-9-7-12(11-3-5-18-6-4-11)10(2)13(8-9)14(15,16)17;1-10-7-12(9-18-5-3-4-6-18)11(2)13(8-10)14(15,16)17;1-9-7-11(13(14,15)16)8-12(10(9)2)17-3-5-18-6-4-17;1-9-7-11(13(14,15)16)8-12(10(9)2)17-5-3-4-6-17;1-8-5-9(7-16(2)3)11(17-4)10(6-8)12(13,14)15;1-8-5-6-10(12)9(7-8)11(2,3)4/h9-11H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;4,8-9H,5-7H2,1-3H3;8-9H,3-7H2,1-2H3;3,7-8,18H,4-6H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,7H2,1-4H3;5-7H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2592.37 g/mol, XLogP of 35.44, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159780866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).