3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine

C106H130F4N12O9 — CID 158697547

IUPAC3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine
SMILESCNCCCCCCOc1ccc(C2=NCc3cc(C)ccc32)cc1.CNCCCOCCOc1ccc(-c2nn(C)c3cc(C)ccc23)c(F)c1.CNCCCOCCOc1ccc(C2=NCc3cc(C)ccc32)c(F)c1.CNCCOCCCOc1ccc(-c2nn(C)c3cc(C)ccc23)c(F)c1.CNCCOCCCOc1ccc(C2=NCc3cc(C)ccc32)c(F)c1
InChIInChI=1S/C22H28N2O.2C21H26FN3O2.2C21H25FN2O2/c1-17-7-12-21-19(15-17)16-24-22(21)18-8-10-20(11-9-18)25-14-6-4-3-5-13-23-2;1-15-5-7-18-20(13-15)25(3)24-21(18)17-8-6-16(14-19(17)22)27-11-4-10-26-12-9-23-2;1-15-5-7-18-20(13-15)25(3)24-21(18)17-8-6-16(14-19(17)22)27-12-11-26-10-4-9-23-2;1-15-4-6-18-16(12-15)14-24-21(18)19-7-5-17(13-20(19)22)26-10-3-9-25-11-8-23-2;1-15-4-6-18-16(12-15)14-24-21(18)19-7-5-17(13-20(19)22)26-11-10-25-9-3-8-23-2/h7-12,15,23H,3-6,13-14,16H2,1-2H3;2*5-8,13-14,23H,4,9-12H2,1-3H3;2*4-7,12-13,23H,3,8-11,14H2,1-2H3
InChIKeyIHDHJHOMNFTRTH-UHFFFAOYSA-N
MW1792.27 g/mol
LogP18.87
Rot. Bonds45

About 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine

3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine (PubChem CID 158697547) has the molecular formula C106H130F4N12O9 and a molecular weight of 1792.27 g/mol. Its IUPAC name is 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine.

Molecular Properties

Compound Name3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine
PubChem CID158697547
Molecular FormulaC106H130F4N12O9
Molecular Weight1792.27 g/mol
Exact Mass1791.00
IUPAC Name3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine
SMILESCNCCCCCCOc1ccc(C2=NCc3cc(C)ccc32)cc1.CNCCCOCCOc1ccc(-c2nn(C)c3cc(C)ccc23)c(F)c1.CNCCCOCCOc1ccc(C2=NCc3cc(C)ccc32)c(F)c1.CNCCOCCCOc1ccc(-c2nn(C)c3cc(C)ccc23)c(F)c1.CNCCOCCCOc1ccc(C2=NCc3cc(C)ccc32)c(F)c1
InChIInChI=1S/C22H28N2O.2C21H26FN3O2.2C21H25FN2O2/c1-17-7-12-21-19(15-17)16-24-22(21)18-8-10-20(11-9-18)25-14-6-4-3-5-13-23-2;1-15-5-7-18-20(13-15)25(3)24-21(18)17-8-6-16(14-19(17)22)27-11-4-10-26-12-9-23-2;1-15-5-7-18-20(13-15)25(3)24-21(18)17-8-6-16(14-19(17)22)27-12-11-26-10-4-9-23-2;1-15-4-6-18-16(12-15)14-24-21(18)19-7-5-17(13-20(19)22)26-10-3-9-25-11-8-23-2;1-15-4-6-18-16(12-15)14-24-21(18)19-7-5-17(13-20(19)22)26-11-10-25-9-3-8-23-2/h7-12,15,23H,3-6,13-14,16H2,1-2H3;2*5-8,13-14,23H,4,9-12H2,1-3H3;2*4-7,12-13,23H,3,8-11,14H2,1-2H3
InChIKeyIHDHJHOMNFTRTH-UHFFFAOYSA-N
XLogP18.87
TPSA215.94 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds45
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.27
LogP ≤ 518.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-(6-bromo-1-methylindazol-3-yl)-3-fluorophenoxy]-N-(cyclopropylmethyl)hexan-1-amine
CID 138734358
6-bromo-3-(4-butoxy-2-fluorophenyl)-1-methylindazole;N-[3-[4-(6-bromo-1-methylindazol-3-yl)-3-fluorophenoxy]propyl]cyclopropanamine
CID 158404703
6-[4-(6-bromo-1-methylindazol-3-yl)-3-fluorophenoxy]hexan-1-ol
CID 138734177
6-[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138734236
3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole
CID 162015544
3-[2-[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenoxy]ethoxy]propyl N-methylcarbamate
CID 138734257
N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
CID 82353159
2-fluoro-4-[9-[3-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]phenoxy]nonoxy]-1-[4-(4-fluorophenyl)-3-methylphenyl]benzene
CID 118260681
1,2,3-trifluoro-5-[2-fluoro-4-[9-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]nonoxy]phenyl]benzene
CID 59583290
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene
CID 162217694

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine?
The IUPAC name of 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine (CID 158697547) is 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine.
What is the SMILES notation for 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine?
The canonical SMILES for 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine is CNCCCCCCOc1ccc(C2=NCc3cc(C)ccc32)cc1.CNCCCOCCOc1ccc(-c2nn(C)c3cc(C)ccc23)c(F)c1.CNCCCOCCOc1ccc(C2=NCc3cc(C)ccc32)c(F)c1.CNCCOCCCOc1ccc(-c2nn(C)c3cc(C)ccc23)c(F)c1.CNCCOCCCOc1ccc(C2=NCc3cc(C)ccc32)c(F)c1.
What is the InChIKey of 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine?
The InChIKey is IHDHJHOMNFTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.2C21H26FN3O2.2C21H25FN2O2/c1-17-7-12-21-19(15-17)16-24-22(21)18-8-10-20(11-9-18)25-14-6-4-3-5-13-23-2;1-15-5-7-18-20(13-15)25(3)24-21(18)17-8-6-16(14-19(17)22)27-11-4-10-26-12-9-23-2;1-15-5-7-18-20(13-15)25(3)24-21(18)17-8-6-16(14-19(17)22)27-12-11-26-10-4-9-23-2;1-15-4-6-18-16(12-15)14-24-21(18)19-7-5-17(13-20(19)22)26-10-3-9-25-11-8-23-2;1-15-4-6-18-16(12-15)14-24-21(18)19-7-5-17(13-20(19)22)26-11-10-25-9-3-8-23-2/h7-12,15,23H,3-6,13-14,16H2,1-2H3;2*5-8,13-14,23H,4,9-12H2,1-3H3;2*4-7,12-13,23H,3,8-11,14H2,1-2H3.
What are the key properties of 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine?
3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine has a molecular weight of 1792.27 g/mol, XLogP of 18.87, 45 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[4-(1,6-dimethylindazol-3-yl)-3-fluorophenoxy]propoxy]-N-methylethanamine;3-[2-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]ethoxy]-N-methylpropan-1-amine;2-[3-[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenoxy]propoxy]-N-methylethanamine;N-methyl-6-[4-(5-methyl-3H-isoindol-1-yl)phenoxy]hexan-1-amine is sourced from PubChem (CID 158697547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).