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

C93H119F21N6O6 — CID 161338789

IUPAC2,5-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
SMILESCOc1ccc(C(F)(F)F)cc1C(C)C.Cc1cc(CCC(C)C)c(C)c(C(F)(F)F)c1.Cc1cc(CCCC(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/C15H21F3.2C14H19F3N2O.C14H19F3.C13H14F3NO.C12H14F3NO2.C11H13F3O/c1-10(2)6-5-7-13-8-11(3)9-14(12(13)4)15(16,17)18;1-10-6-12(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;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3/h8-10H,5-7H2,1-4H3;2*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;4-7H,1-3H3
InChIKeyVMJXVELMDPELKV-UHFFFAOYSA-N
MW1815.97 g/mol
LogP26.12
Rot. Bonds19

About 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

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 (PubChem CID 161338789) has the molecular formula C93H119F21N6O6 and a molecular weight of 1815.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID161338789
Molecular FormulaC93H119F21N6O6
Molecular Weight1815.97 g/mol
Exact Mass1814.89
IUPAC Name2,5-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
SMILESCOc1ccc(C(F)(F)F)cc1C(C)C.Cc1cc(CCC(C)C)c(C)c(C(F)(F)F)c1.Cc1cc(CCCC(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/C15H21F3.2C14H19F3N2O.C14H19F3.C13H14F3NO.C12H14F3NO2.C11H13F3O/c1-10(2)6-5-7-13-8-11(3)9-14(12(13)4)15(16,17)18;1-10-6-12(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;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3/h8-10H,5-7H2,1-4H3;2*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;4-7H,1-3H3
InChIKeyVMJXVELMDPELKV-UHFFFAOYSA-N
XLogP26.12
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.97
LogP ≤ 526.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C(F)(F)F)cc1C(C)C.Cc1cc(CCC(C)C)c(C)c(C(F)(F)F)c1.Cc1cc(CCCC(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;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?
The InChIKey is VMJXVELMDPELKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3.2C14H19F3N2O.C14H19F3.C13H14F3NO.C12H14F3NO2.C11H13F3O/c1-10(2)6-5-7-13-8-11(3)9-14(12(13)4)15(16,17)18;1-10-6-12(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;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3/h8-10H,5-7H2,1-4H3;2*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;4-7H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1815.97 g/mol, XLogP of 26.12, 19 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;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 is sourced from PubChem (CID 161338789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).