2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen

C90H138Cl2N10O2 — CID 158469434

About 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen

2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen (PubChem CID 158469434) has the molecular formula C90H138Cl2N10O2 and a molecular weight of 1463.07 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen
• PubChem CID: 158469434
• Molecular Formula: C90H138Cl2N10O2
• Molecular Weight: 1463.07 g/mol
• Exact Mass: 1461.04
• IUPAC Name: 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen
• SMILES: CC(C)(C)c1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNC(=O)Nc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1.Clc1cc(Cl)cc(CCNCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C34H53N3.C30H44N4O2.C26H35Cl2N3.3H2/c1-33(2,3)29-16-12-27(13-17-29)20-21-35-26-32(28-14-18-30(19-15-28)34(4,5)6)37-24-22-36(23-25-37)31-10-8-7-9-11-31;1-30(2,3)24-12-14-25(15-13-24)32-29(35)31-22-28(23-10-16-27(36-4)17-11-23)34-20-18-33(19-21-34)26-8-6-5-7-9-26;27-23-17-21(18-24(28)19-23)11-12-29-20-26(22-7-3-1-4-8-22)31-15-13-30(14-16-31)25-9-5-2-6-10-25;;;/h12-19,31-32,35H,7-11,20-26H2,1-6H3;10-17,26,28H,5-9,18-22H2,1-4H3,(H2,31,32,35);1,3-4,7-8,17-19,25-26,29H,2,5-6,9-16,20H2;3*1H
• InChIKey: HGDYYWSXIPPYDX-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 93.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1463.07
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen?

The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen (CID 158469434) is 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen.

What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen?

The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen is CC(C)(C)c1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNC(=O)Nc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1.Clc1cc(Cl)cc(CCNCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)c1.[H][H].[H][H].[H][H].

What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen?

The InChIKey is HGDYYWSXIPPYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N3.C30H44N4O2.C26H35Cl2N3.3H2/c1-33(2,3)29-16-12-27(13-17-29)20-21-35-26-32(28-14-18-30(19-15-28)34(4,5)6)37-24-22-36(23-25-37)31-10-8-7-9-11-31;1-30(2,3)24-12-14-25(15-13-24)32-29(35)31-22-28(23-10-16-27(36-4)17-11-23)34-20-18-33(19-21-34)26-8-6-5-7-9-26;27-23-17-21(18-24(28)19-23)11-12-29-20-26(22-7-3-1-4-8-22)31-15-13-30(14-16-31)25-9-5-2-6-10-25;;;/h12-19,31-32,35H,7-11,20-26H2,1-6H3;10-17,26,28H,5-9,18-22H2,1-4H3,(H2,31,32,35);1,3-4,7-8,17-19,25-26,29H,2,5-6,9-16,20H2;3*1H.

What are the key properties of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen?

2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen has a molecular weight of 1463.07 g/mol, XLogP of 19.47, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen is sourced from PubChem (CID 158469434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).