N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide

C130H166F10N14O15S7-4 — CID 157111061

IUPACN-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1Cc2cc(NCc3ccc(N)cc3)ccc2C1C.COc1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1.Cc1c(NCc2ccc(N)cc2)ccc(C(F)(F)F)c1C.Cc1cc(NCc2ccc(N)cc2)ccc1C(F)(F)F.Cc1cc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc2c1C(C)CC2.Nc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C21H28N2O2S.C18H21F3N2O2S.C18H22N2.C17H22N2O3S.C16H17F3N2.C15H15F3N2.C13H13FN2.4C3H8O2S/c1-14(2)26(24,25)23-19-9-6-17(7-10-19)13-22-20-11-16(4)21-15(3)5-8-18(21)12-20;1-13(2)26(24,25)23-17-9-5-15(6-10-17)12-22-11-14-3-7-16(8-4-14)18(19,20)21;1-12-9-15-10-17(7-8-18(15)13(12)2)20-11-14-3-5-16(19)6-4-14;1-13(2)23(20,21)19-16-6-4-14(5-7-16)12-18-15-8-10-17(22-3)11-9-15;1-10-11(2)15(8-7-14(10)16(17,18)19)21-9-12-3-5-13(20)6-4-12;1-10-8-13(6-7-14(10)15(16,17)18)20-9-11-2-4-12(19)5-3-11;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;4*1-3(2)6(4)5/h6-7,9-12,14-15,22-23H,5,8,13H2,1-4H3;3-10,13,22-23H,11-12H2,1-2H3;3-8,10,12-13,20H,9,11,19H2,1-2H3;4-11,13,18-19H,12H2,1-3H3;3-8,21H,9,20H2,1-2H3;2-8,20H,9,19H2,1H3;1-8,16H,9,15H2;4*3H,1-2H3,(H,4,5)/p-4
InChIKeyHFMFURFKIUPDOK-UHFFFAOYSA-J
MW2579.29 g/mol
LogP29.43
Rot. Bonds36

About N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide

N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide (PubChem CID 157111061) has the molecular formula C130H166F10N14O15S7-4 and a molecular weight of 2579.29 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide
PubChem CID157111061
Molecular FormulaC130H166F10N14O15S7-4
Molecular Weight2579.29 g/mol
Exact Mass2577.06
IUPAC NameN-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1Cc2cc(NCc3ccc(N)cc3)ccc2C1C.COc1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1.Cc1c(NCc2ccc(N)cc2)ccc(C(F)(F)F)c1C.Cc1cc(NCc2ccc(N)cc2)ccc1C(F)(F)F.Cc1cc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc2c1C(C)CC2.Nc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C21H28N2O2S.C18H21F3N2O2S.C18H22N2.C17H22N2O3S.C16H17F3N2.C15H15F3N2.C13H13FN2.4C3H8O2S/c1-14(2)26(24,25)23-19-9-6-17(7-10-19)13-22-20-11-16(4)21-15(3)5-8-18(21)12-20;1-13(2)26(24,25)23-17-9-5-15(6-10-17)12-22-11-14-3-7-16(8-4-14)18(19,20)21;1-12-9-15-10-17(7-8-18(15)13(12)2)20-11-14-3-5-16(19)6-4-14;1-13(2)23(20,21)19-16-6-4-14(5-7-16)12-18-15-8-10-17(22-3)11-9-15;1-10-11(2)15(8-7-14(10)16(17,18)19)21-9-12-3-5-13(20)6-4-12;1-10-8-13(6-7-14(10)15(16,17)18)20-9-11-2-4-12(19)5-3-11;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;4*1-3(2)6(4)5/h6-7,9-12,14-15,22-23H,5,8,13H2,1-4H3;3-10,13,22-23H,11-12H2,1-2H3;3-8,10,12-13,20H,9,11,19H2,1-2H3;4-11,13,18-19H,12H2,1-3H3;3-8,21H,9,20H2,1-2H3;2-8,20H,9,19H2,1H3;1-8,16H,9,15H2;4*3H,1-2H3,(H,4,5)/p-4
InChIKeyHFMFURFKIUPDOK-UHFFFAOYSA-J
XLogP29.43
TPSA496.55 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.29
LogP ≤ 529.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide (CID 157111061) is N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1Cc2cc(NCc3ccc(N)cc3)ccc2C1C.COc1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1.Cc1c(NCc2ccc(N)cc2)ccc(C(F)(F)F)c1C.Cc1cc(NCc2ccc(N)cc2)ccc1C(F)(F)F.Cc1cc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc2c1C(C)CC2.Nc1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
The InChIKey is HFMFURFKIUPDOK-UHFFFAOYSA-J. The full InChI is InChI=1S/C21H28N2O2S.C18H21F3N2O2S.C18H22N2.C17H22N2O3S.C16H17F3N2.C15H15F3N2.C13H13FN2.4C3H8O2S/c1-14(2)26(24,25)23-19-9-6-17(7-10-19)13-22-20-11-16(4)21-15(3)5-8-18(21)12-20;1-13(2)26(24,25)23-17-9-5-15(6-10-17)12-22-11-14-3-7-16(8-4-14)18(19,20)21;1-12-9-15-10-17(7-8-18(15)13(12)2)20-11-14-3-5-16(19)6-4-14;1-13(2)23(20,21)19-16-6-4-14(5-7-16)12-18-15-8-10-17(22-3)11-9-15;1-10-11(2)15(8-7-14(10)16(17,18)19)21-9-12-3-5-13(20)6-4-12;1-10-8-13(6-7-14(10)15(16,17)18)20-9-11-2-4-12(19)5-3-11;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;4*1-3(2)6(4)5/h6-7,9-12,14-15,22-23H,5,8,13H2,1-4H3;3-10,13,22-23H,11-12H2,1-2H3;3-8,10,12-13,20H,9,11,19H2,1-2H3;4-11,13,18-19H,12H2,1-3H3;3-8,21H,9,20H2,1-2H3;2-8,20H,9,19H2,1H3;1-8,16H,9,15H2;4*3H,1-2H3,(H,4,5)/p-4.
What are the key properties of N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide has a molecular weight of 2579.29 g/mol, XLogP of 29.43, 36 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-3-methyl-4-(trifluoromethyl)aniline;N-[4-[[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate);N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 157111061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).