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

C98H118F24N8O2 — CID 158789453

IUPAC1-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
SMILESCc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N(C)C)cc(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCNCC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/2C14H19F3N2.C13H17F3N2.C13H16F3NO.C10H12F3N.C10H14.C8H7F3O.2C8H7F3/c1-11-7-12(9-13(8-11)14(15,16)17)10-19-5-3-18(2)4-6-19;1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19;1-10-2-3-11(12(8-10)13(14,15)16)9-18-6-4-17-5-7-18;1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-7-4-8(10(11,12)13)6-9(5-7)14(2)3;1-8(2)10-6-4-5-9(3)7-10;1-6-3-2-4-7(5-6)12-8(9,10)11;2*1-6-3-2-4-7(5-6)8(9,10)11/h7-9H,3-6,10H2,1-2H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,17H,4-7,9H2,1H3;2-3,8H,4-7,9H2,1H3;4-6H,1-3H3;4-8H,1-3H3;2-5H,1H3;2*2-5H,1H3
InChIKeyISBXXDWNDIYABX-UHFFFAOYSA-N
MW1896.03 g/mol
LogP25.91
Rot. Bonds11

About 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

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 (PubChem CID 158789453) has the molecular formula C98H118F24N8O2 and a molecular weight of 1896.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158789453
Molecular FormulaC98H118F24N8O2
Molecular Weight1896.03 g/mol
Exact Mass1894.90
IUPAC Name1-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
SMILESCc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N(C)C)cc(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCNCC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/2C14H19F3N2.C13H17F3N2.C13H16F3NO.C10H12F3N.C10H14.C8H7F3O.2C8H7F3/c1-11-7-12(9-13(8-11)14(15,16)17)10-19-5-3-18(2)4-6-19;1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19;1-10-2-3-11(12(8-10)13(14,15)16)9-18-6-4-17-5-7-18;1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-7-4-8(10(11,12)13)6-9(5-7)14(2)3;1-8(2)10-6-4-5-9(3)7-10;1-6-3-2-4-7(5-6)12-8(9,10)11;2*1-6-3-2-4-7(5-6)8(9,10)11/h7-9H,3-6,10H2,1-2H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,17H,4-7,9H2,1H3;2-3,8H,4-7,9H2,1H3;4-6H,1-3H3;4-8H,1-3H3;2-5H,1H3;2*2-5H,1H3
InChIKeyISBXXDWNDIYABX-UHFFFAOYSA-N
XLogP25.91
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001896.03
LogP ≤ 525.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

[3-Fluoro-4-(2-piperidin-1-ylethoxy)benzyl][2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-trifluoromethylphenyl]amine
CID 66627334
(1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine
CID 122422162
N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 123943541
N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine
CID 143171240
(3R)-3-(2,6-difluorophenyl)-7-[2-methyl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine;(3S)-3-(2,6-difluorophenyl)-7-[2-methyl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 157260797
methane;bis(5-(3-propan-2-ylphenyl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,3,4-tetrahydroquinoline);2-(trifluoromethyl)oxirane;bis(1,1,1-trifluoro-3-[5-(3-propan-2-ylphenyl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)
CID 157308327
1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-1-(1-butylpiperidin-4-yl)urea;1-benzyl-3-(4-methoxy-2-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea;1-(1-benzylpiperidin-4-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]urea
CID 157673887
(2R)-1-[(2S)-5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;(2R)-1-[(2R)-5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline);(2R)-2-methyloxirane;molecular fluorine
CID 157720256
methane;bis(5-(3-methoxyphenyl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,3,4-tetrahydroquinoline);bis(1,1,1-trifluoro-3-[5-(3-methoxyphenyl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol);2-(trifluoromethyl)oxirane
CID 158059462
(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 158980387
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;1-methyl-3-(trifluoromethyl)benzene;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;3-methyl-5-(trifluoromethyl)pyridine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 159483916
CID 160265193
CID 160265193

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N(C)C)cc(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCNCC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is ISBXXDWNDIYABX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H19F3N2.C13H17F3N2.C13H16F3NO.C10H12F3N.C10H14.C8H7F3O.2C8H7F3/c1-11-7-12(9-13(8-11)14(15,16)17)10-19-5-3-18(2)4-6-19;1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19;1-10-2-3-11(12(8-10)13(14,15)16)9-18-6-4-17-5-7-18;1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-7-4-8(10(11,12)13)6-9(5-7)14(2)3;1-8(2)10-6-4-5-9(3)7-10;1-6-3-2-4-7(5-6)12-8(9,10)11;2*1-6-3-2-4-7(5-6)8(9,10)11/h7-9H,3-6,10H2,1-2H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,17H,4-7,9H2,1H3;2-3,8H,4-7,9H2,1H3;4-6H,1-3H3;4-8H,1-3H3;2-5H,1H3;2*2-5H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1896.03 g/mol, XLogP of 25.91, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158789453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).