N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine

C120H188N10O3 — CID 158559838

About N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine

N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine (PubChem CID 158559838) has the molecular formula C120H188N10O3 and a molecular weight of 1818.89 g/mol. Its IUPAC name is N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine.

Molecular Properties

• Compound Name: N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine
• PubChem CID: 158559838
• Molecular Formula: C120H188N10O3
• Molecular Weight: 1818.89 g/mol
• Exact Mass: 1817.49
• IUPAC Name: N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine
• SMILES: CC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(C2CCNC2)c1.CC(C)(C)c1cccc(N2CCNCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CN1CCC(c2cccc(C(C)(C)C)c2)C1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.CNCCOc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C18H29NO.C17H27NO.C15H24N2.C15H23N.C14H22N2.2C14H21N.C13H21NO/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-7-5-6-12(10-14)13-8-9-16(4)11-13;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-13(2,3)11-6-5-7-12(10-11)15-9-8-14-4/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,12H,8-11H2,1-4H3;5-7,10,13H,8-9,11H2,1-4H3;4-6,11,15H,7-10H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,9,12,15H,7-8,10H2,1-3H3;5-7,10,14H,8-9H2,1-4H3
• InChIKey: HQSZIDCDRQSOSV-UHFFFAOYSA-N
• XLogP: 25.87
• TPSA: 95.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.89
LogP ≤ 5	25.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine?

The IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine (CID 158559838) is N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine.

What is the SMILES notation for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine?

The canonical SMILES for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine is CC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(C2CCNC2)c1.CC(C)(C)c1cccc(N2CCNCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CN1CCC(c2cccc(C(C)(C)C)c2)C1.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.CNCCOc1cccc(C(C)(C)C)c1.

What is the InChIKey of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine?

The InChIKey is HQSZIDCDRQSOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C17H27NO.C15H24N2.C15H23N.C14H22N2.2C14H21N.C13H21NO/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)14-7-5-6-12(10-14)13-8-9-16(4)11-13;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-13(2,3)11-6-5-7-12(10-11)15-9-8-14-4/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,12H,8-11H2,1-4H3;5-7,10,13H,8-9,11H2,1-4H3;4-6,11,15H,7-10H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,9,12,15H,7-8,10H2,1-3H3;5-7,10,14H,8-9H2,1-4H3.

What are the key properties of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine?

N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine has a molecular weight of 1818.89 g/mol, XLogP of 25.87, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine is sourced from PubChem (CID 158559838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).