4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol

C168H216N12O6 — CID 160738540

About 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol

4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol (PubChem CID 160738540) has the molecular formula C168H216N12O6 and a molecular weight of 2499.65 g/mol. Its IUPAC name is 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol.

Molecular Properties

• Compound Name: 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol
• PubChem CID: 160738540
• Molecular Formula: C168H216N12O6
• Molecular Weight: 2499.65 g/mol
• Exact Mass: 2497.70
• IUPAC Name: 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol
• SMILES: CCc1cc(Cc2cc(C(C)C)c(N)c(C(C)C)c2)cc(C(C)C)c1NC(C)c1ccc(O)cc1.CCc1cc(Cc2cc(CC)c(NC(C)c3ccc(O)cc3)c(CC)c2)cc(CC)c1N.CCc1cc(Cc2ccc(NC(C)c3ccc(O)cc3)c(CC)c2)ccc1N.Cc1cc(Cc2cc(C)c(NC(C)c3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N.Cc1cc(Cc2cc(C)c(NC(C)c3ccc(O)cc3)c(C)c2)cc(C)c1N.Cc1cc(Cc2cc(C)c(NCc3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N
• InChI: InChI=1S/C32H44N2O.2C29H38N2O.C28H36N2O.2C25H30N2O/c1-9-25-15-23(14-24-16-28(19(2)3)31(33)29(17-24)20(4)5)18-30(21(6)7)32(25)34-22(8)26-10-12-27(35)13-11-26;1-17(2)26-15-22(12-19(5)28(26)30)14-23-13-20(6)29(27(16-23)18(3)4)31-21(7)24-8-10-25(32)11-9-24;1-6-22-15-20(16-23(7-2)28(22)30)14-21-17-24(8-3)29(25(9-4)18-21)31-19(5)26-10-12-27(32)13-11-26;1-17(2)25-14-22(11-19(5)27(25)29)13-23-12-20(6)28(26(15-23)18(3)4)30-16-21-7-9-24(31)10-8-21;1-15-10-20(11-16(2)24(15)26)14-21-12-17(3)25(18(4)13-21)27-19(5)22-6-8-23(28)9-7-22;1-4-20-15-18(6-12-24(20)26)14-19-7-13-25(21(5-2)16-19)27-17(3)22-8-10-23(28)11-9-22/h10-13,15-22,34-35H,9,14,33H2,1-8H3;8-13,15-18,21,31-32H,14,30H2,1-7H3;10-13,15-19,31-32H,6-9,14,30H2,1-5H3;7-12,14-15,17-18,30-31H,13,16,29H2,1-6H3;6-13,19,27-28H,14,26H2,1-5H3;6-13,15-17,27-28H,4-5,14,26H2,1-3H3
• InChIKey: RVGNFWHXGYUVII-UHFFFAOYSA-N
• XLogP: 42.14
• TPSA: 349.68 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 18
• Rotatable Bonds: 44
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2499.65
LogP ≤ 5	42.14
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol?

The IUPAC name of 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol (CID 160738540) is 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol.

What is the SMILES notation for 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol?

The canonical SMILES for 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol is CCc1cc(Cc2cc(C(C)C)c(N)c(C(C)C)c2)cc(C(C)C)c1NC(C)c1ccc(O)cc1.CCc1cc(Cc2cc(CC)c(NC(C)c3ccc(O)cc3)c(CC)c2)cc(CC)c1N.CCc1cc(Cc2ccc(NC(C)c3ccc(O)cc3)c(CC)c2)ccc1N.Cc1cc(Cc2cc(C)c(NC(C)c3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N.Cc1cc(Cc2cc(C)c(NC(C)c3ccc(O)cc3)c(C)c2)cc(C)c1N.Cc1cc(Cc2cc(C)c(NCc3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N.

What is the InChIKey of 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol?

The InChIKey is RVGNFWHXGYUVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O.2C29H38N2O.C28H36N2O.2C25H30N2O/c1-9-25-15-23(14-24-16-28(19(2)3)31(33)29(17-24)20(4)5)18-30(21(6)7)32(25)34-22(8)26-10-12-27(35)13-11-26;1-17(2)26-15-22(12-19(5)28(26)30)14-23-13-20(6)29(27(16-23)18(3)4)31-21(7)24-8-10-25(32)11-9-24;1-6-22-15-20(16-23(7-2)28(22)30)14-21-17-24(8-3)29(25(9-4)18-21)31-19(5)26-10-12-27(32)13-11-26;1-17(2)25-14-22(11-19(5)27(25)29)13-23-12-20(6)28(26(15-23)18(3)4)30-16-21-7-9-24(31)10-8-21;1-15-10-20(11-16(2)24(15)26)14-21-12-17(3)25(18(4)13-21)27-19(5)22-6-8-23(28)9-7-22;1-4-20-15-18(6-12-24(20)26)14-19-7-13-25(21(5-2)16-19)27-17(3)22-8-10-23(28)11-9-22/h10-13,15-22,34-35H,9,14,33H2,1-8H3;8-13,15-18,21,31-32H,14,30H2,1-7H3;10-13,15-19,31-32H,6-9,14,30H2,1-5H3;7-12,14-15,17-18,30-31H,13,16,29H2,1-6H3;6-13,19,27-28H,14,26H2,1-5H3;6-13,15-17,27-28H,4-5,14,26H2,1-3H3.

What are the key properties of 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol?

4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol has a molecular weight of 2499.65 g/mol, XLogP of 42.14, 44 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol is sourced from PubChem (CID 160738540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).