1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

C181H271ClF7N13O10 — CID 158107385

IUPAC1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)C/N=C/C(=CN)C(C)C.CC(C)CC/N=C/C(=CN)C(C)C.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)N1CCC[C@H](c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc2nn(C)cc12.CCC/N=C/C(=CN)C(C)C.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F
InChIInChI=1S/C14H21N.C13H19ClO.C13H18FNO.C13H19FO.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H22N2.C11H17NO.C11H16O2.2C10H13F.C10H20N2.C9H18N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11)9(3)4;1-4-5-11-7-9(6-10)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-7,9-10H,8H2,1-4H3;5-9H,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6,12H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3;5,7-9H,6,11H2,1-4H3;6-8H,4-5,10H2,1-3H3/b;;;;;;;;;11-7?,13-8+;;;;;10-5?,12-7+;9-6?,11-7+/t14-;;;;;;;;;;;;;;;/m0.............../s1
InChIKeyQIWQLTKRFUKWMR-VBNREIADSA-N
MW2957.68 g/mol
LogP48.17
Rot. Bonds45

About 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 158107385) has the molecular formula C181H271ClF7N13O10 and a molecular weight of 2957.68 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
PubChem CID158107385
Molecular FormulaC181H271ClF7N13O10
Molecular Weight2957.68 g/mol
Exact Mass2955.07
IUPAC Name1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)C/N=C/C(=CN)C(C)C.CC(C)CC/N=C/C(=CN)C(C)C.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)N1CCC[C@H](c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc2nn(C)cc12.CCC/N=C/C(=CN)C(C)C.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F
InChIInChI=1S/C14H21N.C13H19ClO.C13H18FNO.C13H19FO.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H22N2.C11H17NO.C11H16O2.2C10H13F.C10H20N2.C9H18N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11)9(3)4;1-4-5-11-7-9(6-10)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-7,9-10H,8H2,1-4H3;5-9H,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6,12H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3;5,7-9H,6,11H2,1-4H3;6-8H,4-5,10H2,1-3H3/b;;;;;;;;;11-7?,13-8+;;;;;10-5?,12-7+;9-6?,11-7+/t14-;;;;;;;;;;;;;;;/m0.............../s1
InChIKeyQIWQLTKRFUKWMR-VBNREIADSA-N
XLogP48.17
TPSA292.21 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds45
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002957.68
LogP ≤ 548.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?
The IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (CID 158107385) is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.
What is the SMILES notation for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?
The canonical SMILES for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is CC(C)C/N=C/C(=CN)C(C)C.CC(C)CC/N=C/C(=CN)C(C)C.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)N1CCC[C@H](c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc2nn(C)cc12.CCC/N=C/C(=CN)C(C)C.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F.
What is the InChIKey of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?
The InChIKey is QIWQLTKRFUKWMR-VBNREIADSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.C13H18FNO.C13H19FO.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H22N2.C11H17NO.C11H16O2.2C10H13F.C10H20N2.C9H18N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11)9(3)4;1-4-5-11-7-9(6-10)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-7,9-10H,8H2,1-4H3;5-9H,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6,12H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3;5,7-9H,6,11H2,1-4H3;6-8H,4-5,10H2,1-3H3/b;;;;;;;;;11-7?,13-8+;;;;;10-5?,12-7+;9-6?,11-7+/t14-;;;;;;;;;;;;;;;/m0.............../s1.
What are the key properties of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?
1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 2957.68 g/mol, XLogP of 48.17, 45 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-methyl-2-(3-methylbutyliminomethyl)but-1-en-1-amine;3-methyl-2-(2-methylpropyliminomethyl)but-1-en-1-amine;2-methyl-4-propan-2-ylindazole;3-methyl-2-(propyliminomethyl)but-1-en-1-amine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 158107385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).