cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline

C169H224F5N19O2 — CID 161241172

IUPACcumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline
SMILESCC(C)C1=c2ccccc2=NC1.CC(C)C1C=c2ccccc2=N1.CC(C)C1N=c2ccccc2=N1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccc(C(F)(F)F)cc1N.CC(C)c1ccc(CCO)cc1.CC(C)c1ccc(F)cc1N.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(N)c1.CC(C)c1ccccc1.CC(C)c1ccccc1N.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.Cc1ccc(C(C)C)c(N)c1
InChIInChI=1S/C12H13FN2.2C11H13N.C11H16O.C10H12F3N.2C10H12N2.C10H15N.C9H12FN.3C9H13N.C9H12O.C9H12.3C8H11N.C6H10N2/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7-8-6/h3-8H,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3;3-8,11H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6H,14H2,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);4-7H,11H2,1-3H3;3-6H,11H2,1-2H3;3*3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyVAAFVGQKLFANOV-UHFFFAOYSA-N
MW2648.77 g/mol
LogP40.84
Rot. Bonds21

About cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline

cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline (PubChem CID 161241172) has the molecular formula C169H224F5N19O2 and a molecular weight of 2648.77 g/mol. Its IUPAC name is cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Namecumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline
PubChem CID161241172
Molecular FormulaC169H224F5N19O2
Molecular Weight2648.77 g/mol
Exact Mass2646.79
IUPAC Namecumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline
SMILESCC(C)C1=c2ccccc2=NC1.CC(C)C1C=c2ccccc2=N1.CC(C)C1N=c2ccccc2=N1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccc(C(F)(F)F)cc1N.CC(C)c1ccc(CCO)cc1.CC(C)c1ccc(F)cc1N.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(N)c1.CC(C)c1ccccc1.CC(C)c1ccccc1N.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.Cc1ccc(C(C)C)c(N)c1
InChIInChI=1S/C12H13FN2.2C11H13N.C11H16O.C10H12F3N.2C10H12N2.C10H15N.C9H12FN.3C9H13N.C9H12O.C9H12.3C8H11N.C6H10N2/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7-8-6/h3-8H,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3;3-8,11H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6H,14H2,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);4-7H,11H2,1-3H3;3-6H,11H2,1-2H3;3*3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyVAAFVGQKLFANOV-UHFFFAOYSA-N
XLogP40.84
TPSA370.73 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002648.77
LogP ≤ 540.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline with MolForge

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Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-6-(oxan-4-yl)-7-pyridin-4-yl-1H-pyrrolo[2,3-f]indazole;bis(2,2,2-trifluoro-1-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]ethanol)
CID 157284363
1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
CID 158021474
isoquinolin-7-ol;isoquinolin-7-yl trifluoromethanesulfonate;7-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
CID 159288010
2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol
CID 159476400
1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine);bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 161685714
cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157102469
2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[1-(2-hydroxyethanimidoyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;N'-hydroxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzenecarboximidamide;dihydrochloride
CID 158072757
4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride
CID 158427010
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol
CID 158440362
2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol
CID 158685485
cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158712735
2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole
CID 159069372

Frequently Asked Questions

What is the IUPAC name of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline?
The IUPAC name of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline (CID 161241172) is cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline is CC(C)C1=c2ccccc2=NC1.CC(C)C1C=c2ccccc2=N1.CC(C)C1N=c2ccccc2=N1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccc(C(F)(F)F)cc1N.CC(C)c1ccc(CCO)cc1.CC(C)c1ccc(F)cc1N.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(N)c1.CC(C)c1ccccc1.CC(C)c1ccccc1N.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.Cc1ccc(C(C)C)c(N)c1.
What is the InChIKey of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline?
The InChIKey is VAAFVGQKLFANOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.2C11H13N.C11H16O.C10H12F3N.2C10H12N2.C10H15N.C9H12FN.3C9H13N.C9H12O.C9H12.3C8H11N.C6H10N2/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7-8-6/h3-8H,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3;3-8,11H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6H,14H2,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);4-7H,11H2,1-3H3;3-6H,11H2,1-2H3;3*3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline?
cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline has a molecular weight of 2648.77 g/mol, XLogP of 40.84, 21 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 161241172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).