3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole

C191H247F2N29O2 — CID 158483448

IUPAC3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
SMILESCC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2cncn2C)cccc1C(C)C.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C
InChIInChI=1S/C14H17F2NO.6C14H18N2.C14H20N2.C14H17NO.C14H17N.2C13H17N3.C13H19N3.C12H15N3/c1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;2*1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-10(2)12-6-5-7-13(11(12)3)14-8-15-9-16(14)4;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h4-7H,8-9H2,1-3H3;6*5-10H,1-4H3;6-10,15H,1H2,2-5H3;5-9H,1-4H3;4-10,15H,1-3H3;2*5-9H,1-4H3;6-9,14H,1H2,2-5H3;4-9H,1-3H3/b;;;;;;;15-10+;;;;;15-14+;
InChIKeyHHUMQCXIANUYST-JESAUCJDSA-N
MW3019.27 g/mol
LogP48.48
Rot. Bonds22

About 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole

3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole (PubChem CID 158483448) has the molecular formula C191H247F2N29O2 and a molecular weight of 3019.27 g/mol. Its IUPAC name is 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
PubChem CID158483448
Molecular FormulaC191H247F2N29O2
Molecular Weight3019.27 g/mol
Exact Mass3017.01
IUPAC Name3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
SMILESCC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2cncn2C)cccc1C(C)C.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C
InChIInChI=1S/C14H17F2NO.6C14H18N2.C14H20N2.C14H17NO.C14H17N.2C13H17N3.C13H19N3.C12H15N3/c1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;2*1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-10(2)12-6-5-7-13(11(12)3)14-8-15-9-16(14)4;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h4-7H,8-9H2,1-3H3;6*5-10H,1-4H3;6-10,15H,1H2,2-5H3;5-9H,1-4H3;4-10,15H,1-3H3;2*5-9H,1-4H3;6-9,14H,1H2,2-5H3;4-9H,1-3H3/b;;;;;;;15-10+;;;;;15-14+;
InChIKeyHHUMQCXIANUYST-JESAUCJDSA-N
XLogP48.48
TPSA327.72 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003019.27
LogP ≤ 548.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-tert-butyl-2-methylphenyl)pyrazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 157760955
2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol
CID 158314335
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
1-(3-tert-butyl-2-methylphenyl)pyrazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)-oxoazanium;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;4-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 158599756
1-Tert-butyl-4-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(1-(3-tert-butyl-2-methylphenyl)imidazole);2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 158810310
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 159925680
4-(3-tert-butyl-5-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-3-fluorophenyl)-1-methylpyrazole;4-(5-tert-butyl-2-fluorophenyl)-1-methylpyrazole;1-tert-butyl-3-methylbenzene;6-tert-butyl-1-methylindazole;bis(5-(3-tert-butylphenyl)-1,3-oxazole);1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160078155
1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);4-(3-tert-butyl-2-methylphenyl)-1H-pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;4-(3-tert-butyl-2-methylphenyl)-1,2,4-triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 161911064
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 162029041
N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propan-2-amine;N-[[2-(1H-imidazol-2-yl)phenyl]methyl]propan-2-amine;N-methyl-1-[2-(1-methylpyrazol-3-yl)phenyl]methanamine;N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propan-2-amine;N-methyl-1-[2-(1H-pyrazol-5-yl)phenyl]methanamine;N-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]propan-2-amine;N-methyl-1-[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methanamine;N-[[2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]propan-2-amine;N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]propan-2-amine;N-[[2-(1,3-oxazol-4-yl)phenyl]methyl]propan-2-amine;N-[(2-pyridin-2-ylphenyl)methyl]propan-2-amine;N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 165036792
N-[[2-(4-fluoropyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1H-imidazol-5-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methoxypyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(1-methylimidazol-4-yl)phenyl]methyl]propan-2-amine;N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(4-methyl-2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]propan-2-amine;1-[2-[(propan-2-ylamino)methyl]phenyl]pyrazol-4-amine;N-[(2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 165053907
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 167645701

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
The IUPAC name of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole (CID 158483448) is 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole.
What is the SMILES notation for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
The canonical SMILES for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole is CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2cncn2C)cccc1C(C)C.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C.
What is the InChIKey of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
The InChIKey is HHUMQCXIANUYST-JESAUCJDSA-N. The full InChI is InChI=1S/C14H17F2NO.6C14H18N2.C14H20N2.C14H17NO.C14H17N.2C13H17N3.C13H19N3.C12H15N3/c1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;2*1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-10(2)12-6-5-7-13(11(12)3)14-8-15-9-16(14)4;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h4-7H,8-9H2,1-3H3;6*5-10H,1-4H3;6-10,15H,1H2,2-5H3;5-9H,1-4H3;4-10,15H,1-3H3;2*5-9H,1-4H3;6-9,14H,1H2,2-5H3;4-9H,1-3H3/b;;;;;;;15-10+;;;;;15-14+;.
What are the key properties of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole has a molecular weight of 3019.27 g/mol, XLogP of 48.48, 22 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole is sourced from PubChem (CID 158483448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).