2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine

C115H198N16O4 — CID 158309321

About 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine

2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine (PubChem CID 158309321) has the molecular formula C115H198N16O4 and a molecular weight of 1868.96 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine
• PubChem CID: 158309321
• Molecular Formula: C115H198N16O4
• Molecular Weight: 1868.96 g/mol
• Exact Mass: 1867.58
• IUPAC Name: 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine
• SMILES: CC(C)CNc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CC(C)CNc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CC(C)N1CCC(Cc2ccc(C(C)(C)C)c(NC3CCOCC3)c2)CC1.CCC(COC)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN(C)CCOc1ccc(C(C)(C)C)c(N)c1.COCC(C)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C
• InChI: InChI=1S/C24H40N2O.C20H35N3O.C19H33N3O.2C19H33N3.C14H24N2O/c1-18(2)26-12-8-19(9-13-26)16-20-6-7-22(24(3,4)5)23(17-20)25-21-10-14-27-15-11-21;1-7-16(15-24-6)21-19-14-17(8-9-18(19)20(2,3)4)23-12-10-22(5)11-13-23;1-15(14-23-6)20-18-13-16(7-8-17(18)19(2,3)4)22-11-9-21(5)10-12-22;2*1-15(2)14-20-18-13-16(7-8-17(18)19(3,4)5)22-11-9-21(6)10-12-22;1-14(2,3)12-7-6-11(10-13(12)15)17-9-8-16(4)5/h6-7,17-19,21,25H,8-16H2,1-5H3;8-9,14,16,21H,7,10-13,15H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;2*7-8,13,15,20H,9-12,14H2,1-6H3;6-7,10H,8-9,15H2,1-5H3
• InChIKey: GNMCSOUOLZKGSV-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 155.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1868.96
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?

The IUPAC name of 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine (CID 158309321) is 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine.

What is the SMILES notation for 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?

The canonical SMILES for 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine is CC(C)CNc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CC(C)CNc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CC(C)N1CCC(Cc2ccc(C(C)(C)C)c(NC3CCOCC3)c2)CC1.CCC(COC)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN(C)CCOc1ccc(C(C)(C)C)c(N)c1.COCC(C)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?

The InChIKey is GNMCSOUOLZKGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O.C20H35N3O.C19H33N3O.2C19H33N3.C14H24N2O/c1-18(2)26-12-8-19(9-13-26)16-20-6-7-22(24(3,4)5)23(17-20)25-21-10-14-27-15-11-21;1-7-16(15-24-6)21-19-14-17(8-9-18(19)20(2,3)4)23-12-10-22(5)11-13-23;1-15(14-23-6)20-18-13-16(7-8-17(18)19(2,3)4)22-11-9-21(5)10-12-22;2*1-15(2)14-20-18-13-16(7-8-17(18)19(3,4)5)22-11-9-21(6)10-12-22;1-14(2,3)12-7-6-11(10-13(12)15)17-9-8-16(4)5/h6-7,17-19,21,25H,8-16H2,1-5H3;8-9,14,16,21H,7,10-13,15H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;2*7-8,13,15,20H,9-12,14H2,1-6H3;6-7,10H,8-9,15H2,1-5H3.

What are the key properties of 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?

2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine has a molecular weight of 1868.96 g/mol, XLogP of 22.11, 28 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-[2-(dimethylamino)ethoxy]aniline;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;bis(2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline);N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine is sourced from PubChem (CID 158309321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).