4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline

C125H179N9O8 — CID 157193821

About 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline

4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline (PubChem CID 157193821) has the molecular formula C125H179N9O8 and a molecular weight of 1935.86 g/mol. Its IUPAC name is 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline
• PubChem CID: 157193821
• Molecular Formula: C125H179N9O8
• Molecular Weight: 1935.86 g/mol
• Exact Mass: 1934.39
• IUPAC Name: 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline
• SMILES: CC(C)Oc1ccc(CNCCC2(c3ccccc3)CCOC(C)(C)C2)cc1.CCN(CCC1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1.CN(C)c1ccc(CNCCC2(c3ccccc3)CCOC(C)(C)C2)cc1.COc1ccc(C2(CCNCc3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1.COc1ccccc1C1(CCNCc2ccc(N(C)C)cc2)CCOC(C)(C)C1
• InChI: InChI=1S/C26H38N2O.2C25H36N2O2.C25H35NO2.C24H34N2O/c1-6-28(20-22-12-14-24(15-13-22)27(4)5)18-16-26(23-10-8-7-9-11-23)17-19-29-25(2,3)21-26;1-24(2)19-25(15-17-29-24,21-8-12-23(28-5)13-9-21)14-16-26-18-20-6-10-22(11-7-20)27(3)4;1-24(2)19-25(15-17-29-24,22-8-6-7-9-23(22)28-5)14-16-26-18-20-10-12-21(13-11-20)27(3)4;1-20(2)28-23-12-10-21(11-13-23)18-26-16-14-25(22-8-6-5-7-9-22)15-17-27-24(3,4)19-25;1-23(2)19-24(15-17-27-23,21-8-6-5-7-9-21)14-16-25-18-20-10-12-22(13-11-20)26(3)4/h7-15H,6,16-21H2,1-5H3;2*6-13,26H,14-19H2,1-5H3;5-13,20,26H,14-19H2,1-4H3;5-13,25H,14-19H2,1-4H3
• InChIKey: APZVPYMDOZVJRV-UHFFFAOYSA-N
• XLogP: 25.27
• TPSA: 138.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 39
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1935.86
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline?

The IUPAC name of 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline (CID 157193821) is 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline.

What is the SMILES notation for 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline?

The canonical SMILES for 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline is CC(C)Oc1ccc(CNCCC2(c3ccccc3)CCOC(C)(C)C2)cc1.CCN(CCC1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1.CN(C)c1ccc(CNCCC2(c3ccccc3)CCOC(C)(C)C2)cc1.COc1ccc(C2(CCNCc3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1.COc1ccccc1C1(CCNCc2ccc(N(C)C)cc2)CCOC(C)(C)C1.

What is the InChIKey of 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline?

The InChIKey is APZVPYMDOZVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O.2C25H36N2O2.C25H35NO2.C24H34N2O/c1-6-28(20-22-12-14-24(15-13-22)27(4)5)18-16-26(23-10-8-7-9-11-23)17-19-29-25(2,3)21-26;1-24(2)19-25(15-17-29-24,21-8-12-23(28-5)13-9-21)14-16-26-18-20-6-10-22(11-7-20)27(3)4;1-24(2)19-25(15-17-29-24,22-8-6-7-9-23(22)28-5)14-16-26-18-20-10-12-21(13-11-20)27(3)4;1-20(2)28-23-12-10-21(11-13-23)18-26-16-14-25(22-8-6-5-7-9-22)15-17-27-24(3,4)19-25;1-23(2)19-24(15-17-27-23,21-8-6-5-7-9-21)14-16-25-18-20-10-12-22(13-11-20)26(3)4/h7-15H,6,16-21H2,1-5H3;2*6-13,26H,14-19H2,1-5H3;5-13,20,26H,14-19H2,1-4H3;5-13,25H,14-19H2,1-4H3.

What are the key properties of 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline?

4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline has a molecular weight of 1935.86 g/mol, XLogP of 25.27, 39 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline;4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-ethylamino]methyl]-N,N-dimethylaniline;2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine;4-[[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline;4-[[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 157193821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).