4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine

C127H147BBr4Cl3FN26O9 — CID 161069582

About 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine

4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine (PubChem CID 161069582) has the molecular formula C127H147BBr4Cl3FN26O9 and a molecular weight of 2637.53 g/mol. Its IUPAC name is 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine.

Molecular Properties

• Compound Name: 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine
• PubChem CID: 161069582
• Molecular Formula: C127H147BBr4Cl3FN26O9
• Molecular Weight: 2637.53 g/mol
• Exact Mass: 2630.77
• IUPAC Name: 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine
• SMILES: CC1=Nc2ccc(Br)cc2C1CC1CC1.Cc1nc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc2n1CC1CC1.Cc1nc2ccc(-c3cc(Nc4ccc5ccn(C)c5c4)nc(N4CCOCC4)n3)cc2n1CC1CC1.Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1CC1CC1.Clc1cc(Cl)nc(N2CCOCC2)n1.Cn1ccc2ccc(N)cc21.NCC1CC1.Nc1ccc(Br)cc1NCC1CC1.O=[N+]([O-])c1ccc(Br)cc1F.O=[N+]([O-])c1ccc(Br)cc1NCC1CC1
• InChI: InChI=1S/C29H31N7O.C20H22ClN5O.C18H25BN2O2.C13H14BrN.C10H11BrN2O2.C10H13BrN2.C9H10N2.C8H9Cl2N3O.C6H3BrFNO2.C4H9N/c1-19-30-24-8-6-22(15-27(24)36(19)18-20-3-4-20)25-17-28(33-29(32-25)35-11-13-37-14-12-35)31-23-7-5-21-9-10-34(2)26(21)16-23;1-13-22-16-5-4-15(10-18(16)26(13)12-14-2-3-14)17-11-19(21)24-20(23-17)25-6-8-27-9-7-25;1-12-20-15-9-8-14(10-16(15)21(12)11-13-6-7-13)19-22-17(2,3)18(4,5)23-19;1-8-11(6-9-2-3-9)12-7-10(14)4-5-13(12)15-8;11-8-3-4-10(13(14)15)9(5-8)12-6-7-1-2-7;11-8-3-4-9(12)10(5-8)13-6-7-1-2-7;1-11-5-4-7-2-3-8(10)6-9(7)11;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;7-4-1-2-6(9(10)11)5(8)3-4;5-3-4-1-2-4/h5-10,15-17,20H,3-4,11-14,18H2,1-2H3,(H,31,32,33);4-5,10-11,14H,2-3,6-9,12H2,1H3;8-10,13H,6-7,11H2,1-5H3;4-5,7,9,11H,2-3,6H2,1H3;3-5,7,12H,1-2,6H2;3-5,7,13H,1-2,6,12H2;2-6H,10H2,1H3;5H,1-4H2;1-3H;4H,1-3,5H2
• InChIKey: UEMARIINGRKBJJ-UHFFFAOYSA-N
• XLogP: 28.74
• TPSA: 409.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.53
LogP ≤ 5	28.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine?

The IUPAC name of 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine (CID 161069582) is 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine.

What is the SMILES notation for 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine?

The canonical SMILES for 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine is CC1=Nc2ccc(Br)cc2C1CC1CC1.Cc1nc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc2n1CC1CC1.Cc1nc2ccc(-c3cc(Nc4ccc5ccn(C)c5c4)nc(N4CCOCC4)n3)cc2n1CC1CC1.Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1CC1CC1.Clc1cc(Cl)nc(N2CCOCC2)n1.Cn1ccc2ccc(N)cc21.NCC1CC1.Nc1ccc(Br)cc1NCC1CC1.O=[N+]([O-])c1ccc(Br)cc1F.O=[N+]([O-])c1ccc(Br)cc1NCC1CC1.

What is the InChIKey of 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine?

The InChIKey is UEMARIINGRKBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O.C20H22ClN5O.C18H25BN2O2.C13H14BrN.C10H11BrN2O2.C10H13BrN2.C9H10N2.C8H9Cl2N3O.C6H3BrFNO2.C4H9N/c1-19-30-24-8-6-22(15-27(24)36(19)18-20-3-4-20)25-17-28(33-29(32-25)35-11-13-37-14-12-35)31-23-7-5-21-9-10-34(2)26(21)16-23;1-13-22-16-5-4-15(10-18(16)26(13)12-14-2-3-14)17-11-19(21)24-20(23-17)25-6-8-27-9-7-25;1-12-20-15-9-8-14(10-16(15)21(12)11-13-6-7-13)19-22-17(2,3)18(4,5)23-19;1-8-11(6-9-2-3-9)12-7-10(14)4-5-13(12)15-8;11-8-3-4-10(13(14)15)9(5-8)12-6-7-1-2-7;11-8-3-4-9(12)10(5-8)13-6-7-1-2-7;1-11-5-4-7-2-3-8(10)6-9(7)11;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;7-4-1-2-6(9(10)11)5(8)3-4;5-3-4-1-2-4/h5-10,15-17,20H,3-4,11-14,18H2,1-2H3,(H,31,32,33);4-5,10-11,14H,2-3,6-9,12H2,1H3;8-10,13H,6-7,11H2,1-5H3;4-5,7,9,11H,2-3,6H2,1H3;3-5,7,12H,1-2,6H2;3-5,7,13H,1-2,6,12H2;2-6H,10H2,1H3;5H,1-4H2;1-3H;4H,1-3,5H2.

What are the key properties of 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine?

4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine has a molecular weight of 2637.53 g/mol, XLogP of 28.74, 25 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-N-(cyclopropylmethyl)benzene-1,2-diamine;5-bromo-3-(cyclopropylmethyl)-2-methyl-3H-indole;5-bromo-N-(cyclopropylmethyl)-2-nitroaniline;4-bromo-2-fluoro-1-nitrobenzene;4-[4-chloro-6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]morpholine;cyclopropylmethanamine;N-[6-[3-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine;1-(cyclopropylmethyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methylindol-6-amine is sourced from PubChem (CID 161069582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).