N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene

C208H236F4N18O13S — CID 159111734

IUPACN,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene
SMILESC/C=C/COC.CC.CC1=CCCCC1.CC=CCCCC.COC(=O)c1ccc(C)cc1.COCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(-c2ccno2)cc1.Cc1ccc(-c2ccon2)cc1.Cc1ccc(-c2ncc[nH]2)cc1.Cc1ccc(-c2ncco2)cc1.Cc1ccc(-c2nccs2)cc1.Cc1ccc(-c2ncno2)cc1.Cc1ccc(-c2nnco2)cc1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C)cc1.Cc1ccc(CN(C)C)cc1.Cc1ccc(CO)cc1.Cc1ccc(F)cc1.Cc1ccc(N=C=O)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1cccc(CC#N)c1.Cc1ccccc1
InChIInChI=1S/3C10H10N2.3C10H9NO.C10H9NS.C10H15N.2C9H8N2O.C9H9N.C9H10O2.C9H12O.C8H7F3O.C8H7NO.C8H7N.2C8H10O.C8H10.C7H7F.C7H12.C7H8.C7H14.C5H10O.C2H6/c1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;2*1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-8-2-4-9(5-3-8)10-6-7-12-11-10;1-8-2-4-9(5-3-8)10-6-7-11-12-10;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-9-4-6-10(7-5-9)8-11(2)3;1-7-2-4-8(5-3-7)9-11-10-6-12-9;1-7-2-4-8(5-3-7)9-10-6-11-12-9;1-8-3-2-4-9(7-8)5-6-10;1-7-3-5-8(6-4-7)9(10)11-2;1-8-3-5-9(6-4-8)7-10-2;1-6-2-4-7(5-3-6)12-8(9,10)11;1-7-2-4-8(5-3-7)9-6-10;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-3-4-5-6-2;1-2/h2*2-8H,1H3;2-7H,1H3,(H,11,12);4*2-7H,1H3;4-7H,8H2,1-3H3;2*2-6H,1H3;2-4,7H,5H2,1H3;3-6H,1-2H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;3-6H,1-2H3;2-5,9H,6H2,1H3;3-6H,1-2H3;2-5H,1H3;5H,2-4,6H2,1H3;2-6H,1H3;3,5H,4,6-7H2,1-2H3;3-4H,5H2,1-2H3;1-2H3/b;;;;;;;;;;;;;;;;;;;;;;;4-3+;
InChIKeyKEOWLHURAIRJCB-BPULQCGDSA-N
MW3304.35 g/mol
LogP54.09
Rot. Bonds24

About N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene

N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene (PubChem CID 159111734) has the molecular formula C208H236F4N18O13S and a molecular weight of 3304.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene
PubChem CID159111734
Molecular FormulaC208H236F4N18O13S
Molecular Weight3304.35 g/mol
Exact Mass3301.80
IUPAC NameN,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene
SMILESC/C=C/COC.CC.CC1=CCCCC1.CC=CCCCC.COC(=O)c1ccc(C)cc1.COCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(-c2ccno2)cc1.Cc1ccc(-c2ccon2)cc1.Cc1ccc(-c2ncc[nH]2)cc1.Cc1ccc(-c2ncco2)cc1.Cc1ccc(-c2nccs2)cc1.Cc1ccc(-c2ncno2)cc1.Cc1ccc(-c2nnco2)cc1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C)cc1.Cc1ccc(CN(C)C)cc1.Cc1ccc(CO)cc1.Cc1ccc(F)cc1.Cc1ccc(N=C=O)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1cccc(CC#N)c1.Cc1ccccc1
InChIInChI=1S/3C10H10N2.3C10H9NO.C10H9NS.C10H15N.2C9H8N2O.C9H9N.C9H10O2.C9H12O.C8H7F3O.C8H7NO.C8H7N.2C8H10O.C8H10.C7H7F.C7H12.C7H8.C7H14.C5H10O.C2H6/c1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;2*1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-8-2-4-9(5-3-8)10-6-7-12-11-10;1-8-2-4-9(5-3-8)10-6-7-11-12-10;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-9-4-6-10(7-5-9)8-11(2)3;1-7-2-4-8(5-3-7)9-11-10-6-12-9;1-7-2-4-8(5-3-7)9-10-6-11-12-9;1-8-3-2-4-9(7-8)5-6-10;1-7-3-5-8(6-4-7)9(10)11-2;1-8-3-5-9(6-4-8)7-10-2;1-6-2-4-7(5-3-6)12-8(9,10)11;1-7-2-4-8(5-3-7)9-6-10;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-3-4-5-6-2;1-2/h2*2-8H,1H3;2-7H,1H3,(H,11,12);4*2-7H,1H3;4-7H,8H2,1-3H3;2*2-6H,1H3;2-4,7H,5H2,1H3;3-6H,1-2H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;3-6H,1-2H3;2-5,9H,6H2,1H3;3-6H,1-2H3;2-5H,1H3;5H,2-4,6H2,1H3;2-6H,1H3;3,5H,4,6-7H2,1-2H3;3-4H,5H2,1-2H3;1-2H3/b;;;;;;;;;;;;;;;;;;;;;;;4-3+;
InChIKeyKEOWLHURAIRJCB-BPULQCGDSA-N
XLogP54.09
TPSA396.84 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003304.35
LogP ≤ 554.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene with MolForge

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Related Compounds

CID 157668770
CID 157668770
cumene;2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;1-ethyl-4-propan-2-ylbenzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-5-propan-2-ylpyridine);4-propan-2-ylbenzoic acid;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157756317
CID 157902277
CID 157902277
5-(1-hydroxypyridin-1-ium-3-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole;methyl 1-oxido-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridin-1-ium-3-carboxylate;4-(3-methylsulfanylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(1-oxidopyridin-1-ium-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]-1H-pyridin-2-one;4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one;[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]methanol;6-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-1H-pyridin-2-one
CID 159038266
CID 159328819
CID 159328819
CID 160278972
CID 160278972
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol
CID 160710342
5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-1-(4-methylphenyl)pyrazole;5-methyl-1-(4-methylphenyl)tetrazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;N-(4-methylphenyl)acetamide;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)furan;3-(4-methylphenyl)furan;1-(4-methylphenyl)imidazole;4-(4-methylphenyl)morpholine;5-(4-methylphenyl)-1,3-oxazole;1-(4-methylphenyl)pyrazole;4-(4-methylphenyl)thiadiazole;2-(4-methylphenyl)thiophene;N,N,3-trimethylaniline
CID 157469253
5-cyclohexyl-3-methyl-1,2-oxazole;5-methyl-2-phenyl-1H-imidazole;2-methyl-5-phenyl-1,3,4-oxadiazole;3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-3-phenyl-1,2-oxazole;5-methyl-3-phenyl-1H-pyrazole;2-methyl-5-phenyl-1,3-thiazole
CID 158000298
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazole
CID 158016099
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole
CID 159177878

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene?
The IUPAC name of N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene (CID 159111734) is N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene.
What is the SMILES notation for N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene?
The canonical SMILES for N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene is C/C=C/COC.CC.CC1=CCCCC1.CC=CCCCC.COC(=O)c1ccc(C)cc1.COCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(-c2ccno2)cc1.Cc1ccc(-c2ccon2)cc1.Cc1ccc(-c2ncc[nH]2)cc1.Cc1ccc(-c2ncco2)cc1.Cc1ccc(-c2nccs2)cc1.Cc1ccc(-c2ncno2)cc1.Cc1ccc(-c2nnco2)cc1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C)cc1.Cc1ccc(CN(C)C)cc1.Cc1ccc(CO)cc1.Cc1ccc(F)cc1.Cc1ccc(N=C=O)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1cccc(CC#N)c1.Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene?
The InChIKey is KEOWLHURAIRJCB-BPULQCGDSA-N. The full InChI is InChI=1S/3C10H10N2.3C10H9NO.C10H9NS.C10H15N.2C9H8N2O.C9H9N.C9H10O2.C9H12O.C8H7F3O.C8H7NO.C8H7N.2C8H10O.C8H10.C7H7F.C7H12.C7H8.C7H14.C5H10O.C2H6/c1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;2*1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-8-2-4-9(5-3-8)10-6-7-12-11-10;1-8-2-4-9(5-3-8)10-6-7-11-12-10;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-9-4-6-10(7-5-9)8-11(2)3;1-7-2-4-8(5-3-7)9-11-10-6-12-9;1-7-2-4-8(5-3-7)9-10-6-11-12-9;1-8-3-2-4-9(7-8)5-6-10;1-7-3-5-8(6-4-7)9(10)11-2;1-8-3-5-9(6-4-8)7-10-2;1-6-2-4-7(5-3-6)12-8(9,10)11;1-7-2-4-8(5-3-7)9-6-10;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-3-4-5-6-2;1-2/h2*2-8H,1H3;2-7H,1H3,(H,11,12);4*2-7H,1H3;4-7H,8H2,1-3H3;2*2-6H,1H3;2-4,7H,5H2,1H3;3-6H,1-2H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;3-6H,1-2H3;2-5,9H,6H2,1H3;3-6H,1-2H3;2-5H,1H3;5H,2-4,6H2,1H3;2-6H,1H3;3,5H,4,6-7H2,1-2H3;3-4H,5H2,1-2H3;1-2H3/b;;;;;;;;;;;;;;;;;;;;;;;4-3+;.
What are the key properties of N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene?
N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene has a molecular weight of 3304.35 g/mol, XLogP of 54.09, 24 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylphenyl)methanamine;ethane;1-fluoro-4-methylbenzene;hept-2-ene;1-isocyanato-4-methylbenzene;(E)-1-methoxybut-2-ene;1-methoxy-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;4-methylbenzonitrile;1-methylcyclohexene;methyl 4-methylbenzoate;2-(3-methylphenyl)acetonitrile;1-(4-methylphenyl)imidazole;2-(4-methylphenyl)-1H-imidazole;(4-methylphenyl)methanol;2-(4-methylphenyl)-1,3,4-oxadiazole;5-(4-methylphenyl)-1,2,4-oxadiazole;2-(4-methylphenyl)-1,3-oxazole;3-(4-methylphenyl)-1,2-oxazole;5-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;1-methyl-4-(trifluoromethoxy)benzene;toluene;1,4-xylene is sourced from PubChem (CID 159111734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).