1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate

C142H188ClF9N16O12S — CID 160901518

IUPAC1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate
SMILESCOCc1c(F)cccc1F.COCc1ccc(Cl)cc1.COCc1ccc(OC(C)=O)cc1.[CH2-][NH2+]CCCc1ccccc1.[CH2-][NH2+]CCc1ccc(OC)cc1.[CH2-][NH2+]Cc1c(F)cccc1F.[CH2-][NH2+]Cc1ccc(C(F)(F)F)cc1.[CH2-][NH2+]Cc1ccc(C)cc1.[CH2-][NH2+]Cc1ccc(F)cc1.[CH2-][NH2+]Cc1ccc(OC)c(OC)c1.[CH2-][NH2+]Cc1ccc(OC)cc1.[CH2-][NH2+]Cc1ccc2c(c1)OCO2.[CH2-][NH2+]Cc1cccc(F)c1.[CH2-][NH2+]Cc1ccccn1.[CH2-][NH2+]Cc1ccco1.[CH2-][NH2+]Cc1cccs1.[CH2-][NH2+]Cc1ccncc1
InChIInChI=1S/C10H15NO2.C10H15NO.C10H15N.C10H12O3.C9H10F3N.C9H11NO2.C9H13NO.C9H13N.C8H9ClO.C8H9F2N.C8H8F2O.2C8H10FN.2C7H10N2.C6H9NO.C6H9NS/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-11-8-7-9-3-5-10(12-2)6-4-9;1-11-9-5-8-10-6-3-2-4-7-10;1-8(11)13-10-5-3-9(4-6-10)7-12-2;1-13-6-7-2-4-8(5-3-7)9(10,11)12;1-10-5-7-2-3-8-9(4-7)12-6-11-8;1-10-7-8-3-5-9(11-2)6-4-8;1-8-3-5-9(6-4-8)7-10-2;1-10-6-7-2-4-8(9)5-3-7;2*1-11-5-6-7(9)3-2-4-8(6)10;1-10-6-7-2-4-8(9)5-3-7;1-10-6-7-3-2-4-8(9)5-7;1-8-6-7-2-4-9-5-3-7;1-8-6-7-4-2-3-5-9-7;2*1-7-5-6-3-2-4-8-6/h4-6H,1,7,11H2,2-3H3;3-6H,1,7-8,11H2,2H3;2-4,6-7H,1,5,8-9,11H2;3-6H,7H2,1-2H3;2-5H,1,6,13H2;2-4H,1,5-6,10H2;3-6H,1,7,10H2,2H3;3-6H,2,7,10H2,1H3;2-5H,6H2,1H3;2-4H,1,5,11H2;2-4H,5H2,1H3;2*2-5H,1,6,10H2;2*2-5H,1,6,8H2;2*2-4H,1,5,7H2
InChIKeyMQHLBCOYKPKFDP-UHFFFAOYSA-N
MW2549.67 g/mol
LogP14.50
Rot. Bonds42

About 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate

1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate (PubChem CID 160901518) has the molecular formula C142H188ClF9N16O12S and a molecular weight of 2549.67 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate
PubChem CID160901518
Molecular FormulaC142H188ClF9N16O12S
Molecular Weight2549.67 g/mol
Exact Mass2547.39
IUPAC Name1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate
SMILESCOCc1c(F)cccc1F.COCc1ccc(Cl)cc1.COCc1ccc(OC(C)=O)cc1.[CH2-][NH2+]CCCc1ccccc1.[CH2-][NH2+]CCc1ccc(OC)cc1.[CH2-][NH2+]Cc1c(F)cccc1F.[CH2-][NH2+]Cc1ccc(C(F)(F)F)cc1.[CH2-][NH2+]Cc1ccc(C)cc1.[CH2-][NH2+]Cc1ccc(F)cc1.[CH2-][NH2+]Cc1ccc(OC)c(OC)c1.[CH2-][NH2+]Cc1ccc(OC)cc1.[CH2-][NH2+]Cc1ccc2c(c1)OCO2.[CH2-][NH2+]Cc1cccc(F)c1.[CH2-][NH2+]Cc1ccccn1.[CH2-][NH2+]Cc1ccco1.[CH2-][NH2+]Cc1cccs1.[CH2-][NH2+]Cc1ccncc1
InChIInChI=1S/C10H15NO2.C10H15NO.C10H15N.C10H12O3.C9H10F3N.C9H11NO2.C9H13NO.C9H13N.C8H9ClO.C8H9F2N.C8H8F2O.2C8H10FN.2C7H10N2.C6H9NO.C6H9NS/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-11-8-7-9-3-5-10(12-2)6-4-9;1-11-9-5-8-10-6-3-2-4-7-10;1-8(11)13-10-5-3-9(4-6-10)7-12-2;1-13-6-7-2-4-8(5-3-7)9(10,11)12;1-10-5-7-2-3-8-9(4-7)12-6-11-8;1-10-7-8-3-5-9(11-2)6-4-8;1-8-3-5-9(6-4-8)7-10-2;1-10-6-7-2-4-8(9)5-3-7;2*1-11-5-6-7(9)3-2-4-8(6)10;1-10-6-7-2-4-8(9)5-3-7;1-10-6-7-3-2-4-8(9)5-7;1-8-6-7-2-4-9-5-3-7;1-8-6-7-4-2-3-5-9-7;2*1-7-5-6-3-2-4-8-6/h4-6H,1,7,11H2,2-3H3;3-6H,1,7-8,11H2,2H3;2-4,6-7H,1,5,8-9,11H2;3-6H,7H2,1-2H3;2-5H,1,6,13H2;2-4H,1,5-6,10H2;3-6H,1,7,10H2,2H3;3-6H,2,7,10H2,1H3;2-5H,6H2,1H3;2-4H,1,5,11H2;2-4H,5H2,1H3;2*2-5H,1,6,10H2;2*2-5H,1,6,8H2;2*2-4H,1,5,7H2
InChIKeyMQHLBCOYKPKFDP-UHFFFAOYSA-N
XLogP14.50
TPSA380.83 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds42
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002549.67
LogP ≤ 514.50
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate with MolForge

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Related Compounds

1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;1,2-dimethoxyethane;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;methanidyl-[3-[4-(trifluoromethyl)phenyl]propyl]azanium;N-[4-(methoxymethyl)phenyl]acetamide;[4-(methoxymethyl)phenyl] acetate
CID 160332609
1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butylfuran;4-[(5-tert-butylfuran-2-yl)methyl]morpholine;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-methylpyrrole;1-tert-butyl-3-phenoxybenzene;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160589131
1-Chloro-4-[(sulfamoylamino)methyl]benzene;[ethyl(sulfamoyl)amino]ethane;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane
CID 157610328
1-Chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane
CID 160919837

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate (CID 160901518) is 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate is COCc1c(F)cccc1F.COCc1ccc(Cl)cc1.COCc1ccc(OC(C)=O)cc1.[CH2-][NH2+]CCCc1ccccc1.[CH2-][NH2+]CCc1ccc(OC)cc1.[CH2-][NH2+]Cc1c(F)cccc1F.[CH2-][NH2+]Cc1ccc(C(F)(F)F)cc1.[CH2-][NH2+]Cc1ccc(C)cc1.[CH2-][NH2+]Cc1ccc(F)cc1.[CH2-][NH2+]Cc1ccc(OC)c(OC)c1.[CH2-][NH2+]Cc1ccc(OC)cc1.[CH2-][NH2+]Cc1ccc2c(c1)OCO2.[CH2-][NH2+]Cc1cccc(F)c1.[CH2-][NH2+]Cc1ccccn1.[CH2-][NH2+]Cc1ccco1.[CH2-][NH2+]Cc1cccs1.[CH2-][NH2+]Cc1ccncc1.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate?
The InChIKey is MQHLBCOYKPKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C10H15NO.C10H15N.C10H12O3.C9H10F3N.C9H11NO2.C9H13NO.C9H13N.C8H9ClO.C8H9F2N.C8H8F2O.2C8H10FN.2C7H10N2.C6H9NO.C6H9NS/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-11-8-7-9-3-5-10(12-2)6-4-9;1-11-9-5-8-10-6-3-2-4-7-10;1-8(11)13-10-5-3-9(4-6-10)7-12-2;1-13-6-7-2-4-8(5-3-7)9(10,11)12;1-10-5-7-2-3-8-9(4-7)12-6-11-8;1-10-7-8-3-5-9(11-2)6-4-8;1-8-3-5-9(6-4-8)7-10-2;1-10-6-7-2-4-8(9)5-3-7;2*1-11-5-6-7(9)3-2-4-8(6)10;1-10-6-7-2-4-8(9)5-3-7;1-10-6-7-3-2-4-8(9)5-7;1-8-6-7-2-4-9-5-3-7;1-8-6-7-4-2-3-5-9-7;2*1-7-5-6-3-2-4-8-6/h4-6H,1,7,11H2,2-3H3;3-6H,1,7-8,11H2,2H3;2-4,6-7H,1,5,8-9,11H2;3-6H,7H2,1-2H3;2-5H,1,6,13H2;2-4H,1,5-6,10H2;3-6H,1,7,10H2,2H3;3-6H,2,7,10H2,1H3;2-5H,6H2,1H3;2-4H,1,5,11H2;2-4H,5H2,1H3;2*2-5H,1,6,10H2;2*2-5H,1,6,8H2;2*2-4H,1,5,7H2.
What are the key properties of 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate?
1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate has a molecular weight of 2549.67 g/mol, XLogP of 14.50, 42 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate is sourced from PubChem (CID 160901518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).