5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene

C143H206ClF5N10O5 — CID 157109851

IUPAC5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
SMILESCC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)COCc1ccccc1Cl.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(n1cnc2ccccc21)C(C)(C)C.COc1ccc(CCC(C)(C)C)cc1F
InChIInChI=1S/C17H21NO.C14H22O.C14H18.C13H19FO.C13H21N3.C13H18N2.C13H20O.C12H17ClO.C12H16N4.C11H19F3.C11H15F/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)9-14-8-10-6-4-5-7-11(10)13;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9/h5-13H,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;5-9,11H,10H2,1-4H3;4-7H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,8H2,1-3H3
InChIKeyAGSKCCNPMAPONI-UHFFFAOYSA-N
MW2275.73 g/mol
LogP40.27
Rot. Bonds22

About 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene

5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene (PubChem CID 157109851) has the molecular formula C143H206ClF5N10O5 and a molecular weight of 2275.73 g/mol. Its IUPAC name is 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene.

Molecular Properties

Compound Name5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
PubChem CID157109851
Molecular FormulaC143H206ClF5N10O5
Molecular Weight2275.73 g/mol
Exact Mass2273.58
IUPAC Name5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
SMILESCC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)COCc1ccccc1Cl.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(n1cnc2ccccc21)C(C)(C)C.COc1ccc(CCC(C)(C)C)cc1F
InChIInChI=1S/C17H21NO.C14H22O.C14H18.C13H19FO.C13H21N3.C13H18N2.C13H20O.C12H17ClO.C12H16N4.C11H19F3.C11H15F/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)9-14-8-10-6-4-5-7-11(10)13;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9/h5-13H,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;5-9,11H,10H2,1-4H3;4-7H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,8H2,1-3H3
InChIKeyAGSKCCNPMAPONI-UHFFFAOYSA-N
XLogP40.27
TPSA149.48 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002275.73
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
The IUPAC name of 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene (CID 157109851) is 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene.
What is the SMILES notation for 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
The canonical SMILES for 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene is CC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)COCc1ccccc1Cl.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(n1cnc2ccccc21)C(C)(C)C.COc1ccc(CCC(C)(C)C)cc1F.
What is the InChIKey of 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
The InChIKey is AGSKCCNPMAPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C14H22O.C14H18.C13H19FO.C13H21N3.C13H18N2.C13H20O.C12H17ClO.C12H16N4.C11H19F3.C11H15F/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)9-14-8-10-6-4-5-7-11(10)13;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9/h5-13H,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;5-9,11H,10H2,1-4H3;4-7H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,8H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene has a molecular weight of 2275.73 g/mol, XLogP of 40.27, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene is sourced from PubChem (CID 157109851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).