2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

C155H204Cl2F18N20O5 — CID 159722823

IUPAC2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C/C(N)=N/C#N)c1.CC(C)Cc1cccc(C/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccnc(Cl)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cc(CC(C)C)ccn1
InChIInChI=1S/C14H21NO.C13H18N4.C13H17N3.C13H19NO.C12H18N2O.C11H12ClF3O.C11H13F3O.3C10H12F3N.C10H12N2.C10H15N.C9H12ClN.C9H11F3N2/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-10(2)6-11-4-3-5-12(7-11)8-16-13(15)17-9-14;1-10(2)6-11-4-3-5-12(7-11)8-13(15)16-9-14;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(13,14)15;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-11-9(10)6-8;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-9H,10H2,1-5H3;3-5,7,10H,6,8H2,1-2H3,(H3,15,16,17);3-5,7,10H,6,8H2,1-2H3,(H2,15,16);5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-6,8H,7,11H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyNAGGJNTYZMXFKV-UHFFFAOYSA-N
MW2840.34 g/mol
LogP40.74
Rot. Bonds36

About 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 159722823) has the molecular formula C155H204Cl2F18N20O5 and a molecular weight of 2840.34 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID159722823
Molecular FormulaC155H204Cl2F18N20O5
Molecular Weight2840.34 g/mol
Exact Mass2837.54
IUPAC Name2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C/C(N)=N/C#N)c1.CC(C)Cc1cccc(C/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccnc(Cl)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cc(CC(C)C)ccn1
InChIInChI=1S/C14H21NO.C13H18N4.C13H17N3.C13H19NO.C12H18N2O.C11H12ClF3O.C11H13F3O.3C10H12F3N.C10H12N2.C10H15N.C9H12ClN.C9H11F3N2/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-10(2)6-11-4-3-5-12(7-11)8-16-13(15)17-9-14;1-10(2)6-11-4-3-5-12(7-11)8-13(15)16-9-14;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(13,14)15;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-11-9(10)6-8;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-9H,10H2,1-5H3;3-5,7,10H,6,8H2,1-2H3,(H3,15,16,17);3-5,7,10H,6,8H2,1-2H3,(H2,15,16);5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-6,8H,7,11H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyNAGGJNTYZMXFKV-UHFFFAOYSA-N
XLogP40.74
TPSA379.97 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002840.34
LogP ≤ 540.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

1-[4-[6-chloro-7-[2-fluoro-5-(trifluoromethoxy)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-N-cyclopropylbenzamide;ethane
CID 144829203
CID 157229239
CID 157229239
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157231491
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 157241863
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157397105
2-Tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157522276
2-Chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157557228
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 157568498
N-(6-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-pyrimidin-4-ylbenzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;N-(6-methoxy-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;N-(2-methyl-4-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 157733649
2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 157740482
3-[2-[2-[[2-Methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide
CID 157769333
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,3-dimethyl-5-propan-2-ylbenzamide;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-5-propan-2-ylpyridine;methane;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;tris(2-methyl-4-propan-2-ylaniline);1-methyl-3-propan-2-ylbenzene;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157770357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (CID 159722823) is 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C/C(N)=N/C#N)c1.CC(C)Cc1cccc(C/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccnc(Cl)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cc(CC(C)C)ccn1.
What is the InChIKey of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is NAGGJNTYZMXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C13H18N4.C13H17N3.C13H19NO.C12H18N2O.C11H12ClF3O.C11H13F3O.3C10H12F3N.C10H12N2.C10H15N.C9H12ClN.C9H11F3N2/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-10(2)6-11-4-3-5-12(7-11)8-16-13(15)17-9-14;1-10(2)6-11-4-3-5-12(7-11)8-13(15)16-9-14;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(13,14)15;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-11-9(10)6-8;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-9H,10H2,1-5H3;3-5,7,10H,6,8H2,1-2H3,(H3,15,16,17);3-5,7,10H,6,8H2,1-2H3,(H2,15,16);5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-6,8H,7,11H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 2840.34 g/mol, XLogP of 40.74, 36 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159722823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).