3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine

C133H120F26N12O11S — CID 167542808

IUPAC3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
SMILESFc1cc(COC2CC(NCc3c(F)ccc4cnccc34)C2)ccc1C(F)(F)F.Fc1ccc2cnccc2c1CNC1CC(Oc2ccc(C3CC3(F)F)cc2)C1.Fc1ccc2cnccc2c1CNC1CC(Oc2cccc(OC(F)(F)F)c2)C1.Fc1ccc2cnccc2c1CNC1CC(Oc2cccc(S(F)(F)F)c2)C1.OCC(O)c1cc(F)c(CNC2CC(Oc3ccc(F)c(C(F)(F)F)c3)C2)c2ccncc12.OCCC(O)c1cc(F)c(CNC2CC(Oc3ccc(F)c(C(F)(F)F)c3)C2)c2ccncc12
InChIInChI=1S/C24H23F5N2O3.C23H21F5N2O3.C23H21F3N2O.C22H19F5N2O.C21H18F4N2O2.C20H18F4N2OS/c25-21-2-1-14(9-20(21)24(27,28)29)34-15-7-13(8-15)31-12-19-16-3-5-30-11-18(16)17(10-22(19)26)23(33)4-6-32;24-20-2-1-13(7-19(20)23(26,27)28)33-14-5-12(6-14)30-10-18-15-3-4-29-9-17(15)16(8-21(18)25)22(32)11-31;24-22-6-3-15-12-27-8-7-19(15)20(22)13-28-16-9-18(10-16)29-17-4-1-14(2-5-17)21-11-23(21,25)26;23-20-4-2-14-10-28-6-5-17(14)18(20)11-29-15-8-16(9-15)30-12-13-1-3-19(21(24)7-13)22(25,26)27;22-20-5-4-13-11-26-7-6-18(13)19(20)12-27-14-8-17(9-14)28-15-2-1-3-16(10-15)29-21(23,24)25;21-20-5-4-13-11-25-7-6-18(13)19(20)12-26-14-8-16(9-14)27-15-2-1-3-17(10-15)28(22,23)24/h1-3,5,9-11,13,15,23,31-33H,4,6-8,12H2;1-4,7-9,12,14,22,30-32H,5-6,10-11H2;1-8,12,16,18,21,28H,9-11,13H2;1-7,10,15-16,29H,8-9,11-12H2;1-7,10-11,14,17,27H,8-9,12H2;1-7,10-11,14,16,26H,8-9,12H2
InChIKeyBKGWTWFKIXTKFH-UHFFFAOYSA-N
MW2588.51 g/mol
LogP30.33
Rot. Bonds39

About 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine

3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine (PubChem CID 167542808) has the molecular formula C133H120F26N12O11S and a molecular weight of 2588.51 g/mol. Its IUPAC name is 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
PubChem CID167542808
Molecular FormulaC133H120F26N12O11S
Molecular Weight2588.51 g/mol
Exact Mass2586.85
IUPAC Name3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
SMILESFc1cc(COC2CC(NCc3c(F)ccc4cnccc34)C2)ccc1C(F)(F)F.Fc1ccc2cnccc2c1CNC1CC(Oc2ccc(C3CC3(F)F)cc2)C1.Fc1ccc2cnccc2c1CNC1CC(Oc2cccc(OC(F)(F)F)c2)C1.Fc1ccc2cnccc2c1CNC1CC(Oc2cccc(S(F)(F)F)c2)C1.OCC(O)c1cc(F)c(CNC2CC(Oc3ccc(F)c(C(F)(F)F)c3)C2)c2ccncc12.OCCC(O)c1cc(F)c(CNC2CC(Oc3ccc(F)c(C(F)(F)F)c3)C2)c2ccncc12
InChIInChI=1S/C24H23F5N2O3.C23H21F5N2O3.C23H21F3N2O.C22H19F5N2O.C21H18F4N2O2.C20H18F4N2OS/c25-21-2-1-14(9-20(21)24(27,28)29)34-15-7-13(8-15)31-12-19-16-3-5-30-11-18(16)17(10-22(19)26)23(33)4-6-32;24-20-2-1-13(7-19(20)23(26,27)28)33-14-5-12(6-14)30-10-18-15-3-4-29-9-17(15)16(8-21(18)25)22(32)11-31;24-22-6-3-15-12-27-8-7-19(15)20(22)13-28-16-9-18(10-16)29-17-4-1-14(2-5-17)21-11-23(21,25)26;23-20-4-2-14-10-28-6-5-17(14)18(20)11-29-15-8-16(9-15)30-12-13-1-3-19(21(24)7-13)22(25,26)27;22-20-5-4-13-11-26-7-6-18(13)19(20)12-27-14-8-17(9-14)28-15-2-1-3-16(10-15)29-21(23,24)25;21-20-5-4-13-11-25-7-6-18(13)19(20)12-26-14-8-16(9-14)27-15-2-1-3-17(10-15)28(22,23)24/h1-3,5,9-11,13,15,23,31-33H,4,6-8,12H2;1-4,7-9,12,14,22,30-32H,5-6,10-11H2;1-8,12,16,18,21,28H,9-11,13H2;1-7,10,15-16,29H,8-9,11-12H2;1-7,10-11,14,17,27H,8-9,12H2;1-7,10-11,14,16,26H,8-9,12H2
InChIKeyBKGWTWFKIXTKFH-UHFFFAOYSA-N
XLogP30.33
TPSA295.05 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002588.51
LogP ≤ 530.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-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

(1S)-1-[3-amino-6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol
CID 165143981
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-[(6-methylisoquinolin-5-yl)methyl]cyclobutan-1-amine
CID 165144194
N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine;hydrochloride
CID 167678955
5-[3-[(6-fluoroisoquinolin-5-yl)methylamino]cyclobutyl]oxy-2-(trifluoromethyl)benzonitrile
CID 165143817
N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclobutan-1-amine;hydrochloride
CID 167647029
3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine
CID 165144209
3-[3-[(1R)-1,2-difluoroethyl]-4-fluorophenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine
CID 175786330
5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-ol;hydrochloride
CID 167599482
trans-(1R,2R)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-[(6-methylisoquinolin-5-yl)methyl]cyclobutan-1-amine;hydrochloride
CID 170556738
3-(1,3-benzothiazol-2-yloxy)-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine
CID 165144039
[6-fluoro-3-methyl-5-[[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]methanol
CID 167590264
N-[(6-ethylisoquinolin-5-yl)methyl]cyclobutanamine;4-fluoro-3-(trifluoromethyl)phenol
CID 165144108

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
The IUPAC name of 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine (CID 167542808) is 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine is Fc1cc(COC2CC(NCc3c(F)ccc4cnccc34)C2)ccc1C(F)(F)F.Fc1ccc2cnccc2c1CNC1CC(Oc2ccc(C3CC3(F)F)cc2)C1.Fc1ccc2cnccc2c1CNC1CC(Oc2cccc(OC(F)(F)F)c2)C1.Fc1ccc2cnccc2c1CNC1CC(Oc2cccc(S(F)(F)F)c2)C1.OCC(O)c1cc(F)c(CNC2CC(Oc3ccc(F)c(C(F)(F)F)c3)C2)c2ccncc12.OCCC(O)c1cc(F)c(CNC2CC(Oc3ccc(F)c(C(F)(F)F)c3)C2)c2ccncc12.
What is the InChIKey of 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
The InChIKey is BKGWTWFKIXTKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N2O3.C23H21F5N2O3.C23H21F3N2O.C22H19F5N2O.C21H18F4N2O2.C20H18F4N2OS/c25-21-2-1-14(9-20(21)24(27,28)29)34-15-7-13(8-15)31-12-19-16-3-5-30-11-18(16)17(10-22(19)26)23(33)4-6-32;24-20-2-1-13(7-19(20)23(26,27)28)33-14-5-12(6-14)30-10-18-15-3-4-29-9-17(15)16(8-21(18)25)22(32)11-31;24-22-6-3-15-12-27-8-7-19(15)20(22)13-28-16-9-18(10-16)29-17-4-1-14(2-5-17)21-11-23(21,25)26;23-20-4-2-14-10-28-6-5-17(14)18(20)11-29-15-8-16(9-15)30-12-13-1-3-19(21(24)7-13)22(25,26)27;22-20-5-4-13-11-26-7-6-18(13)19(20)12-27-14-8-17(9-14)28-15-2-1-3-16(10-15)29-21(23,24)25;21-20-5-4-13-11-25-7-6-18(13)19(20)12-26-14-8-16(9-14)27-15-2-1-3-17(10-15)28(22,23)24/h1-3,5,9-11,13,15,23,31-33H,4,6-8,12H2;1-4,7-9,12,14,22,30-32H,5-6,10-11H2;1-8,12,16,18,21,28H,9-11,13H2;1-7,10,15-16,29H,8-9,11-12H2;1-7,10-11,14,17,27H,8-9,12H2;1-7,10-11,14,16,26H,8-9,12H2.
What are the key properties of 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine has a molecular weight of 2588.51 g/mol, XLogP of 30.33, 39 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluorocyclopropyl)phenoxy]-N-[(6-fluoroisoquinolin-5-yl)methyl]cyclobutan-1-amine;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]ethane-1,2-diol;1-[6-fluoro-5-[[[3-[4-fluoro-3-(trifluoromethyl)phenoxy]cyclobutyl]amino]methyl]isoquinolin-8-yl]propane-1,3-diol;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoro-λ4-sulfanyl)phenoxy]cyclobutan-1-amine;N-[(6-fluoroisoquinolin-5-yl)methyl]-3-[3-(trifluoromethoxy)phenoxy]cyclobutan-1-amine is sourced from PubChem (CID 167542808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).