N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane

C122H148F18N12O5S — CID 160567296

IUPACN-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane
SMILESC.C.C.C.CCN(C)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CCN1CCC[C@@H]1CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.FC(F)(F)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.NCCN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)c1ccccc1.NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1cccs1
InChIInChI=1S/C28H30F3N3O.C27H34F3N3O.C23H27F3N2O.C22H22F6N2O.C18H19F3N2OS.4CH4/c29-28(30,31)20-11-14-25-24(17-20)27-23(26(33-25)19-7-3-1-4-8-19)13-12-22(35-27)18-34(16-15-32)21-9-5-2-6-10-21;1-2-33-14-6-9-20(33)16-31-17-21-11-12-22-25(18-7-4-3-5-8-18)32-24-13-10-19(27(28,29)30)15-23(24)26(22)34-21;1-3-28(2)14-17-10-11-18-21(15-7-5-4-6-8-15)27-20-12-9-16(23(24,25)26)13-19(20)22(18)29-17;23-21(24,25)12-29-11-15-7-8-16-19(13-4-2-1-3-5-13)30-18-9-6-14(22(26,27)28)10-17(18)20(16)31-15;19-18(20,21)10-3-6-14-13(8-10)17-12(5-4-11(9-22)24-17)16(23-14)15-2-1-7-25-15;;;;/h1-11,14,17,22-23,26-27,33H,12-13,15-16,18,32H2;3-5,7-8,10,13,15,20-22,25-26,31-32H,2,6,9,11-12,14,16-17H2,1H3;4-9,12-13,17-18,21-22,27H,3,10-11,14H2,1-2H3;1-6,9-10,15-16,19-20,29-30H,7-8,11-12H2;1-3,6-8,11-12,16-17,23H,4-5,9,22H2;4*1H4/t22-,23+,26+,27+;20-,21-,22+,25+,26+;17-,18+,21+,22+;15-,16+,19+,20+;11-,12+,16-,17+;;;;/m11111..../s1
InChIKeyRABYUHAICBOMEP-XZDKRWBRSA-N
MW2236.64 g/mol
LogP30.75
Rot. Bonds22

About N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane

N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane (PubChem CID 160567296) has the molecular formula C122H148F18N12O5S and a molecular weight of 2236.64 g/mol. Its IUPAC name is N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane.

Molecular Properties

Compound NameN-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane
PubChem CID160567296
Molecular FormulaC122H148F18N12O5S
Molecular Weight2236.64 g/mol
Exact Mass2235.11
IUPAC NameN-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane
SMILESC.C.C.C.CCN(C)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CCN1CCC[C@@H]1CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.FC(F)(F)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.NCCN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)c1ccccc1.NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1cccs1
InChIInChI=1S/C28H30F3N3O.C27H34F3N3O.C23H27F3N2O.C22H22F6N2O.C18H19F3N2OS.4CH4/c29-28(30,31)20-11-14-25-24(17-20)27-23(26(33-25)19-7-3-1-4-8-19)13-12-22(35-27)18-34(16-15-32)21-9-5-2-6-10-21;1-2-33-14-6-9-20(33)16-31-17-21-11-12-22-25(18-7-4-3-5-8-18)32-24-13-10-19(27(28,29)30)15-23(24)26(22)34-21;1-3-28(2)14-17-10-11-18-21(15-7-5-4-6-8-15)27-20-12-9-16(23(24,25)26)13-19(20)22(18)29-17;23-21(24,25)12-29-11-15-7-8-16-19(13-4-2-1-3-5-13)30-18-9-6-14(22(26,27)28)10-17(18)20(16)31-15;19-18(20,21)10-3-6-14-13(8-10)17-12(5-4-11(9-22)24-17)16(23-14)15-2-1-7-25-15;;;;/h1-11,14,17,22-23,26-27,33H,12-13,15-16,18,32H2;3-5,7-8,10,13,15,20-22,25-26,31-32H,2,6,9,11-12,14,16-17H2,1H3;4-9,12-13,17-18,21-22,27H,3,10-11,14H2,1-2H3;1-6,9-10,15-16,19-20,29-30H,7-8,11-12H2;1-3,6-8,11-12,16-17,23H,4-5,9,22H2;4*1H4/t22-,23+,26+,27+;20-,21-,22+,25+,26+;17-,18+,21+,22+;15-,16+,19+,20+;11-,12+,16-,17+;;;;/m11111..../s1
InChIKeyRABYUHAICBOMEP-XZDKRWBRSA-N
XLogP30.75
TPSA192.12 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002236.64
LogP ≤ 530.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane?
The IUPAC name of N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane (CID 160567296) is N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane.
What is the SMILES notation for N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane?
The canonical SMILES for N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane is C.C.C.C.CCN(C)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CCN1CCC[C@@H]1CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.FC(F)(F)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.NCCN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)c1ccccc1.NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1cccs1.
What is the InChIKey of N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane?
The InChIKey is RABYUHAICBOMEP-XZDKRWBRSA-N. The full InChI is InChI=1S/C28H30F3N3O.C27H34F3N3O.C23H27F3N2O.C22H22F6N2O.C18H19F3N2OS.4CH4/c29-28(30,31)20-11-14-25-24(17-20)27-23(26(33-25)19-7-3-1-4-8-19)13-12-22(35-27)18-34(16-15-32)21-9-5-2-6-10-21;1-2-33-14-6-9-20(33)16-31-17-21-11-12-22-25(18-7-4-3-5-8-18)32-24-13-10-19(27(28,29)30)15-23(24)26(22)34-21;1-3-28(2)14-17-10-11-18-21(15-7-5-4-6-8-15)27-20-12-9-16(23(24,25)26)13-19(20)22(18)29-17;23-21(24,25)12-29-11-15-7-8-16-19(13-4-2-1-3-5-13)30-18-9-6-14(22(26,27)28)10-17(18)20(16)31-15;19-18(20,21)10-3-6-14-13(8-10)17-12(5-4-11(9-22)24-17)16(23-14)15-2-1-7-25-15;;;;/h1-11,14,17,22-23,26-27,33H,12-13,15-16,18,32H2;3-5,7-8,10,13,15,20-22,25-26,31-32H,2,6,9,11-12,14,16-17H2,1H3;4-9,12-13,17-18,21-22,27H,3,10-11,14H2,1-2H3;1-6,9-10,15-16,19-20,29-30H,7-8,11-12H2;1-3,6-8,11-12,16-17,23H,4-5,9,22H2;4*1H4/t22-,23+,26+,27+;20-,21-,22+,25+,26+;17-,18+,21+,22+;15-,16+,19+,20+;11-,12+,16-,17+;;;;/m11111..../s1.
What are the key properties of N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane?
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane has a molecular weight of 2236.64 g/mol, XLogP of 30.75, 22 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-methylethanamine;N'-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N'-phenylethane-1,2-diamine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2,2,2-trifluoroethanamine;[(2R,4aS,5R,10bS)-5-thiophen-2-yl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;methane is sourced from PubChem (CID 160567296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).