4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol

C104H138F9N11O6 — CID 157257630

About 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol

4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol (PubChem CID 157257630) has the molecular formula C104H138F9N11O6 and a molecular weight of 1809.30 g/mol. Its IUPAC name is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
• PubChem CID: 157257630
• Molecular Formula: C104H138F9N11O6
• Molecular Weight: 1809.30 g/mol
• Exact Mass: 1808.07
• IUPAC Name: 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
• SMILES: CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2nccc(C(F)(F)F)n2)c1O.CC(C)(C)c1cc(CN2CCOCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(C)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)Cc1cc(C(C)(C)C)cc(-c2ccc(C)nc2)c1O.Cc1ccc(-c2cc(C(C)(C)C)cc(CN(C)C(C)(C)C)c2O)cn1
• InChI: InChI=1S/C22H32N2O.C21H25F3N2O2.C21H30N2O.C20H26F3N3O.C20H25F3N2O/c1-15-9-10-16(13-23-15)19-12-18(21(2,3)4)11-17(20(19)25)14-24(8)22(5,6)7;1-20(2,3)16-10-15(13-26-6-8-28-9-7-26)19(27)17(11-16)14-4-5-18(25-12-14)21(22,23)24;1-7-23(8-2)14-17-11-18(21(4,5)6)12-19(20(17)24)16-10-9-15(3)22-13-16;1-18(2,3)13-9-12(11-25-19(4,5)6)16(27)14(10-13)17-24-8-7-15(26-17)20(21,22)23;1-12(2)24-11-14-8-15(19(3,4)5)9-16(18(14)26)13-6-7-17(25-10-13)20(21,22)23/h9-13,25H,14H2,1-8H3;4-5,10-12,27H,6-9,13H2,1-3H3;9-13,24H,7-8,14H2,1-6H3;7-10,25,27H,11H2,1-6H3;6-10,12,24,26H,11H2,1-5H3
• InChIKey: AXBQFBIDANSOEP-UHFFFAOYSA-N
• XLogP: 25.12
• TPSA: 221.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1809.30
LogP ≤ 5	25.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?

The IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol (CID 157257630) is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol.

What is the SMILES notation for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?

The canonical SMILES for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol is CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2nccc(C(F)(F)F)n2)c1O.CC(C)(C)c1cc(CN2CCOCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(C)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)Cc1cc(C(C)(C)C)cc(-c2ccc(C)nc2)c1O.Cc1ccc(-c2cc(C(C)(C)C)cc(CN(C)C(C)(C)C)c2O)cn1.

What is the InChIKey of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?

The InChIKey is AXBQFBIDANSOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.C21H25F3N2O2.C21H30N2O.C20H26F3N3O.C20H25F3N2O/c1-15-9-10-16(13-23-15)19-12-18(21(2,3)4)11-17(20(19)25)14-24(8)22(5,6)7;1-20(2,3)16-10-15(13-26-6-8-28-9-7-26)19(27)17(11-16)14-4-5-18(25-12-14)21(22,23)24;1-7-23(8-2)14-17-11-18(21(4,5)6)12-19(20(17)24)16-10-9-15(3)22-13-16;1-18(2,3)13-9-12(11-25-19(4,5)6)16(27)14(10-13)17-24-8-7-15(26-17)20(21,22)23;1-12(2)24-11-14-8-15(19(3,4)5)9-16(18(14)26)13-6-7-17(25-10-13)20(21,22)23/h9-13,25H,14H2,1-8H3;4-5,10-12,27H,6-9,13H2,1-3H3;9-13,24H,7-8,14H2,1-6H3;7-10,25,27H,11H2,1-6H3;6-10,12,24,26H,11H2,1-5H3.

What are the key properties of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?

4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol has a molecular weight of 1809.30 g/mol, XLogP of 25.12, 18 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol is sourced from PubChem (CID 157257630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).