N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene

C203H310ClF3N27O9S2+ — CID 158930207

IUPACN-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)NCc1ccccc1.CC(C)NS(=O)(=O)c1ccccc1.CC(C)Nc1ccccc1.CC(C)c1c[n+](C)cn1C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(O)cc1Cl.CC(C)c1cccc(CO)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1ncc[nH]1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.COC1CCN(C(C)C)CC1.COc1ccc(C(C)C)cc1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C11H13N.C10H11F3.C10H12N2.C10H15N.2C10H14O.C9H11ClO.C9H13NO2S.C9H19NO.C9H13N.C9H12O.C9H12.C8H15N2.C8H13NO.C8H11N.C7H12N2.C7H15NO.C7H15N.C7H11N.C7H10S.4C6H10N2.C5H9N3/c1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)8-4-3-7(11)5-9(8)10;1-8(2)10-13(11,12)9-6-4-3-5-7-9;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-9(3)6-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8/h3-8,12H,1-2H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,11H,1-2H3;3-8,10H,1-2H3;8-9H,4-7H2,1-3H3;3-8,10H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;5-7H,1-4H3;5H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3/q;;;;;;;;;;;;+1;;;;;;;;;;;;
InChIKeyLPJNBMLYAWTSON-UHFFFAOYSA-N
MW3429.47 g/mol
LogP52.14
Rot. Bonds33

About N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene

N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 158930207) has the molecular formula C203H310ClF3N27O9S2+ and a molecular weight of 3429.47 g/mol. Its IUPAC name is N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound NameN-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID158930207
Molecular FormulaC203H310ClF3N27O9S2+
Molecular Weight3429.47 g/mol
Exact Mass3426.37
IUPAC NameN-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)NCc1ccccc1.CC(C)NS(=O)(=O)c1ccccc1.CC(C)Nc1ccccc1.CC(C)c1c[n+](C)cn1C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(O)cc1Cl.CC(C)c1cccc(CO)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1ncc[nH]1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.COC1CCN(C(C)C)CC1.COc1ccc(C(C)C)cc1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C11H13N.C10H11F3.C10H12N2.C10H15N.2C10H14O.C9H11ClO.C9H13NO2S.C9H19NO.C9H13N.C9H12O.C9H12.C8H15N2.C8H13NO.C8H11N.C7H12N2.C7H15NO.C7H15N.C7H11N.C7H10S.4C6H10N2.C5H9N3/c1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)8-4-3-7(11)5-9(8)10;1-8(2)10-13(11,12)9-6-4-3-5-7-9;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-9(3)6-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8/h3-8,12H,1-2H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,11H,1-2H3;3-8,10H,1-2H3;8-9H,4-7H2,1-3H3;3-8,10H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;5-7H,1-4H3;5H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3/q;;;;;;;;;;;;+1;;;;;;;;;;;;
InChIKeyLPJNBMLYAWTSON-UHFFFAOYSA-N
XLogP52.14
TPSA406.99 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003429.47
LogP ≤ 552.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159079958
4-bromo-5-propan-2-yl-1H-imidazole;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;1-cyclopropyl-4-propan-2-ylbenzene;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-3-propan-2-ylpyrrole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281891

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 158930207) is N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)NCc1ccccc1.CC(C)NS(=O)(=O)c1ccccc1.CC(C)Nc1ccccc1.CC(C)c1c[n+](C)cn1C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(O)cc1Cl.CC(C)c1cccc(CO)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1ncc[nH]1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.COC1CCN(C(C)C)CC1.COc1ccc(C(C)C)cc1.Cc1noc(C)c1C(C)C.
What is the InChIKey of N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is LPJNBMLYAWTSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H11F3.C10H12N2.C10H15N.2C10H14O.C9H11ClO.C9H13NO2S.C9H19NO.C9H13N.C9H12O.C9H12.C8H15N2.C8H13NO.C8H11N.C7H12N2.C7H15NO.C7H15N.C7H11N.C7H10S.4C6H10N2.C5H9N3/c1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)8-4-3-7(11)5-9(8)10;1-8(2)10-13(11,12)9-6-4-3-5-7-9;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-9(3)6-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8/h3-8,12H,1-2H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,11H,1-2H3;3-8,10H,1-2H3;8-9H,4-7H2,1-3H3;3-8,10H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;5-7H,1-4H3;5H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3/q;;;;;;;;;;;;+1;;;;;;;;;;;;.
What are the key properties of N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3429.47 g/mol, XLogP of 52.14, 33 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158930207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).