[4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium

C147H193N25O9+2 — CID 158725250

About [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium

[4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium (PubChem CID 158725250) has the molecular formula C147H193N25O9+2 and a molecular weight of 2454.33 g/mol. Its IUPAC name is [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium.

Molecular Properties

• Compound Name: [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium
• PubChem CID: 158725250
• Molecular Formula: C147H193N25O9+2
• Molecular Weight: 2454.33 g/mol
• Exact Mass: 2452.54
• IUPAC Name: [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium
• SMILES: CC1=C(C)N=C(c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)C1.CN(C)Cc1ccc(CN(C)C)cc1.COc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)cc1.Cc1c(C)c(CN)c(C)c(C)c1CN.Cc1cc(CN)c(C)cc1CN.NC(=O)c1ccc(C(N)=O)cc1.NCc1ccc(CN)cc1.Oc1cc(CN2CCOCC2)c(O)cc1CN1CCCCC1.[H]/N=C(\N)c1ccc(/C(N)=N/[H])cc1.[H]/N=C(\N)c1ccc(CC)cc1
• InChI: InChI=1S/C27H23N3.C22H20N2O4.C17H26N2O3.C14H26N2.2C12H20N2.C10H16N2.C9H12N2.C8H10N4.C8H8N2O2.C8H12N2/c1-18-17-24(28-19(18)2)20-13-15-23(16-14-20)27-29-25(21-9-5-3-6-10-21)26(30-27)22-11-7-4-8-12-22;1-27-19-7-3-5-17(13-19)23-21(25)15-9-11-16(12-10-15)22(26)24-18-6-4-8-20(14-18)28-2;20-16-11-15(13-19-6-8-22-9-7-19)17(21)10-14(16)12-18-4-2-1-3-5-18;1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6;1-13(2)9-11-5-7-12(8-6-11)10-14(3)4;1-7-8(2)12(6-14)10(4)9(3)11(7)5-13;1-7-3-10(6-12)8(2)4-9(7)5-11;1-2-7-3-5-8(6-4-7)9(10)11;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-1-2-8(6-10)4-3-7/h3-16H,17H2,1-2H3,(H,29,30);3-14H,1-2H3,(H,23,25)(H,24,26);10-11,20-21H,1-9,12-13H2;7-10H,11-12H2,1-6H3;5-8H,9-10H2,1-4H3;5-6,13-14H2,1-4H3;3-4H,5-6,11-12H2,1-2H3;3-6H,2H2,1H3,(H3,10,11);1-4H,(H3,9,10)(H3,11,12);1-4H,(H2,9,11)(H2,10,12);1-4H,5-6,9-10H2/q;;;+2
• InChIKey: XMJFMPJUATUVSS-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 572.26 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.33
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium?

The IUPAC name of [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium (CID 158725250) is [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium.

What is the SMILES notation for [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium?

The canonical SMILES for [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium is CC1=C(C)N=C(c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)C1.CN(C)Cc1ccc(CN(C)C)cc1.COc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)cc1.Cc1c(C)c(CN)c(C)c(C)c1CN.Cc1cc(CN)c(C)cc1CN.NC(=O)c1ccc(C(N)=O)cc1.NCc1ccc(CN)cc1.Oc1cc(CN2CCOCC2)c(O)cc1CN1CCCCC1.[H]/N=C(\N)c1ccc(/C(N)=N/[H])cc1.[H]/N=C(\N)c1ccc(CC)cc1.

What is the InChIKey of [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium?

The InChIKey is XMJFMPJUATUVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3.C22H20N2O4.C17H26N2O3.C14H26N2.2C12H20N2.C10H16N2.C9H12N2.C8H10N4.C8H8N2O2.C8H12N2/c1-18-17-24(28-19(18)2)20-13-15-23(16-14-20)27-29-25(21-9-5-3-6-10-21)26(30-27)22-11-7-4-8-12-22;1-27-19-7-3-5-17(13-19)23-21(25)15-9-11-16(12-10-15)22(26)24-18-6-4-8-20(14-18)28-2;20-16-11-15(13-19-6-8-22-9-7-19)17(21)10-14(16)12-18-4-2-1-3-5-18;1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6;1-13(2)9-11-5-7-12(8-6-11)10-14(3)4;1-7-8(2)12(6-14)10(4)9(3)11(7)5-13;1-7-3-10(6-12)8(2)4-9(7)5-11;1-2-7-3-5-8(6-4-7)9(10)11;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-1-2-8(6-10)4-3-7/h3-16H,17H2,1-2H3,(H,29,30);3-14H,1-2H3,(H,23,25)(H,24,26);10-11,20-21H,1-9,12-13H2;7-10H,11-12H2,1-6H3;5-8H,9-10H2,1-4H3;5-6,13-14H2,1-4H3;3-4H,5-6,11-12H2,1-2H3;3-6H,2H2,1H3,(H3,10,11);1-4H,(H3,9,10)(H3,11,12);1-4H,(H2,9,11)(H2,10,12);1-4H,5-6,9-10H2/q;;;+2;;;;;;;.

What are the key properties of [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium?

[4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium has a molecular weight of 2454.33 g/mol, XLogP of 22.27, 34 rotatable bonds, 19 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(aminomethyl)-2,5-dimethylphenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine;benzene-1,4-dicarboxamide;benzene-1,4-dicarboximidamide;1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide;1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;4-ethylbenzenecarboximidamide;2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol;trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium is sourced from PubChem (CID 158725250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).