4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate

C225H307F13N6O20 — CID 157056872

IUPAC4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate
SMILESC.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc(OCCF)cc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)Oc1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.CN1CCOc2cc(C(C)(C)C)ccc21.CO/C=N/c1ccc(C(C)(C)C)cc1.COc1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O.C13H19NO.C13H20O.C12H17FO.C12H15NO2.3C12H17NO.C12H16O2.C12H18O2.C12H18O.2C11H13F3O.C11H13F3.C11H14F2O.C11H14O2.C10H13F.C10H15N.C10H14O.CH4/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-10(2)14-12-8-6-11(7-9-12)13(3,4)5;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-7-11(8-6-10)13-9-14-4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-8-9(13-4)6-7-11(10)14-5;1-5-13-11-8-6-10(7-9-11)12(2,3)4;2*1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;3*1-10(2,3)8-4-6-9(11)7-5-8;/h4-12H,13H2,1-3H3;5-6,9H,7-8H2,1-4H3;6-10H,1-5H3;4-7H,8-9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-5,8,13H,6-7H2,1-3H3;5-9H,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;1H4/b;;;;;;;13-9+;;;;;;;;;;;;
InChIKeyAAVZUZYZMDBJCQ-BUQFXOPPSA-N
MW3662.93 g/mol
LogP61.88
Rot. Bonds18

About 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate

4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate (PubChem CID 157056872) has the molecular formula C225H307F13N6O20 and a molecular weight of 3662.93 g/mol. Its IUPAC name is 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate.

Molecular Properties

Compound Name4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate
PubChem CID157056872
Molecular FormulaC225H307F13N6O20
Molecular Weight3662.93 g/mol
Exact Mass3660.30
IUPAC Name4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate
SMILESC.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc(OCCF)cc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)Oc1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.CN1CCOc2cc(C(C)(C)C)ccc21.CO/C=N/c1ccc(C(C)(C)C)cc1.COc1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O.C13H19NO.C13H20O.C12H17FO.C12H15NO2.3C12H17NO.C12H16O2.C12H18O2.C12H18O.2C11H13F3O.C11H13F3.C11H14F2O.C11H14O2.C10H13F.C10H15N.C10H14O.CH4/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-10(2)14-12-8-6-11(7-9-12)13(3,4)5;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-7-11(8-6-10)13-9-14-4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-8-9(13-4)6-7-11(10)14-5;1-5-13-11-8-6-10(7-9-11)12(2,3)4;2*1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;3*1-10(2,3)8-4-6-9(11)7-5-8;/h4-12H,13H2,1-3H3;5-6,9H,7-8H2,1-4H3;6-10H,1-5H3;4-7H,8-9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-5,8,13H,6-7H2,1-3H3;5-9H,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;1H4/b;;;;;;;13-9+;;;;;;;;;;;;
InChIKeyAAVZUZYZMDBJCQ-BUQFXOPPSA-N
XLogP61.88
TPSA281.15 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003662.93
LogP ≤ 561.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate?
The IUPAC name of 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate (CID 157056872) is 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate.
What is the SMILES notation for 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate?
The canonical SMILES for 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate is C.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc(OCCF)cc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)Oc1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.CN1CCOc2cc(C(C)(C)C)ccc21.CO/C=N/c1ccc(C(C)(C)C)cc1.COc1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate?
The InChIKey is AAVZUZYZMDBJCQ-BUQFXOPPSA-N. The full InChI is InChI=1S/C17H20O.C13H19NO.C13H20O.C12H17FO.C12H15NO2.3C12H17NO.C12H16O2.C12H18O2.C12H18O.2C11H13F3O.C11H13F3.C11H14F2O.C11H14O2.C10H13F.C10H15N.C10H14O.CH4/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-10(2)14-12-8-6-11(7-9-12)13(3,4)5;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-7-11(8-6-10)13-9-14-4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-8-9(13-4)6-7-11(10)14-5;1-5-13-11-8-6-10(7-9-11)12(2,3)4;2*1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;3*1-10(2,3)8-4-6-9(11)7-5-8;/h4-12H,13H2,1-3H3;5-6,9H,7-8H2,1-4H3;6-10H,1-5H3;4-7H,8-9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-5,8,13H,6-7H2,1-3H3;5-9H,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;1H4/b;;;;;;;13-9+;;;;;;;;;;;;.
What are the key properties of 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate?
4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate has a molecular weight of 3662.93 g/mol, XLogP of 61.88, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylaniline;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-4H-1,4-benzoxazin-3-one;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;2-tert-butyl-1,4-dimethoxybenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butylphenol;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-yloxybenzene;bis(1-tert-butyl-4-(trifluoromethoxy)benzene);1-tert-butyl-4-(trifluoromethyl)benzene;methane;methyl N-(4-tert-butylphenyl)methanimidate is sourced from PubChem (CID 157056872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).