About (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine
(2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine (PubChem CID 165073602) has the molecular formula C142H206ClN33O29
and a molecular weight of 2874.86 g/mol. Its IUPAC name is (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine.
Frequently Asked Questions
What is the IUPAC name of (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine?
The IUPAC name of (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine (CID 165073602) is (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine.
What is the SMILES notation for (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine?
The canonical SMILES for (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine is CN.CNCc1ccc(OC)c([N+](=O)[O-])c1.CNc1cc2nn3c(cnc13)C(=O)N[C@H](C)CCCc1ccc(OC)c(c1)N2.COc1ccc(C=O)cc1[N+](=O)[O-].COc1ccc(CN(C)C[C@@H](C)N)cc1N.COc1ccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1N.COc1ccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ccc(CN(C)C[C@@H](C)NC(=O)c2cnc3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn23)cc1N.COc1ccc2cc1Nc1cc(N(C)C(=O)OC(C)(C)C)c3ncc(n3n1)C(=O)N[C@H](C)CCC2.C[C@H](C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine?
The InChIKey is TXYQHDRAXCKGGN-FCPFIJGKSA-N. The full InChI is InChI=1S/C25H34ClN7O4.C25H32N6O4.C20H24N6O2.C17H27N3O5.C17H29N3O3.C12H21N3O.C9H12N2O3.C8H7NO4.C8H15NO3.CH5N/c1-15(13-31(5)14-16-8-9-20(36-7)17(27)10-16)29-23(34)19-12-28-22-18(11-21(26)30-33(19)22)32(6)24(35)37-25(2,3)4;1-15-8-7-9-16-10-11-20(34-6)17(12-16)28-21-13-18(30(5)24(33)35-25(2,3)4)22-26-14-19(23(32)27-15)31(22)29-21;1-12-5-4-6-13-7-8-17(28-3)14(9-13)24-18-10-15(21-2)19-22-11-16(20(27)23-12)26(19)25-18;1-12(18-16(21)25-17(2,3)4)10-19(5)11-13-7-8-15(24-6)14(9-13)20(22)23;1-12(19-16(21)23-17(2,3)4)10-20(5)11-13-7-8-15(22-6)14(18)9-13;1-9(13)7-15(2)8-10-4-5-12(16-3)11(14)6-10;1-10-6-7-3-4-9(14-2)8(5-7)11(12)13;1-13-8-3-2-6(5-10)4-7(8)9(11)12;1-6(5-10)9-7(11)12-8(2,3)4;1-2/h8-12,15H,13-14,27H2,1-7H3,(H,29,34);10-15H,7-9H2,1-6H3,(H,27,32)(H,28,29);7-12,21H,4-6H2,1-3H3,(H,23,27)(H,24,25);7-9,12H,10-11H2,1-6H3,(H,18,21);7-9,12H,10-11,18H2,1-6H3,(H,19,21);4-6,9H,7-8,13-14H2,1-3H3;3-5,10H,6H2,1-2H3;2-5H,1H3;5-6H,1-4H3,(H,9,11);2H2,1H3/t2*15-;3*12-;9-;;;6-;/m111111..1./s1.
What are the key properties of (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine?
(2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine has a molecular weight of 2874.86 g/mol, XLogP of 20.92, 39 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(3-amino-4-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine;tert-butyl N-[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl N-[(2R)-1-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propan-2-yl]carbamate;tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate;methanamine;(11R)-4-methoxy-11-methyl-18-(methylamino)-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-3-nitrobenzaldehyde;1-(4-methoxy-3-nitrophenyl)-N-methylmethanamine is sourced from PubChem (CID 165073602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).