4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol

C103H141F5N10O5 — CID 160855374

IUPAC4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol
SMILESCC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(F)cn2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2cccc(C(F)(F)F)n2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncccc2F)c1O.Cc1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.Cc1ccnc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)c1
InChIInChI=1S/C21H27F3N2O.2C21H30N2O.2C20H27FN2O/c1-19(2,3)14-10-13(12-25-20(4,5)6)18(27)15(11-14)16-8-7-9-17(26-16)21(22,23)24;1-14-8-9-15(12-22-14)18-11-17(20(2,3)4)10-16(19(18)24)13-23-21(5,6)7;1-14-8-9-22-18(10-14)17-12-16(20(2,3)4)11-15(19(17)24)13-23-21(5,6)7;1-19(2,3)14-9-13(11-23-20(4,5)6)18(24)16(10-14)17-8-7-15(21)12-22-17;1-19(2,3)14-10-13(12-23-20(4,5)6)18(24)15(11-14)17-16(21)8-7-9-22-17/h7-11,25,27H,12H2,1-6H3;2*8-12,23-24H,13H2,1-7H3;7-10,12,23-24H,11H2,1-6H3;7-11,23-24H,12H2,1-6H3
InChIKeySJUFCSGCPLQGAL-UHFFFAOYSA-N
MW1694.32 g/mol
LogP25.11
Rot. Bonds15

About 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol

4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 160855374) has the molecular formula C103H141F5N10O5 and a molecular weight of 1694.32 g/mol. Its IUPAC name is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID160855374
Molecular FormulaC103H141F5N10O5
Molecular Weight1694.32 g/mol
Exact Mass1693.10
IUPAC Name4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol
SMILESCC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(F)cn2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2cccc(C(F)(F)F)n2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncccc2F)c1O.Cc1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.Cc1ccnc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)c1
InChIInChI=1S/C21H27F3N2O.2C21H30N2O.2C20H27FN2O/c1-19(2,3)14-10-13(12-25-20(4,5)6)18(27)15(11-14)16-8-7-9-17(26-16)21(22,23)24;1-14-8-9-15(12-22-14)18-11-17(20(2,3)4)10-16(19(18)24)13-23-21(5,6)7;1-14-8-9-22-18(10-14)17-12-16(20(2,3)4)11-15(19(17)24)13-23-21(5,6)7;1-19(2,3)14-9-13(11-23-20(4,5)6)18(24)16(10-14)17-8-7-15(21)12-22-17;1-19(2,3)14-10-13(12-23-20(4,5)6)18(24)15(11-14)17-16(21)8-7-9-22-17/h7-11,25,27H,12H2,1-6H3;2*8-12,23-24H,13H2,1-7H3;7-10,12,23-24H,11H2,1-6H3;7-11,23-24H,12H2,1-6H3
InChIKeySJUFCSGCPLQGAL-UHFFFAOYSA-N
XLogP25.11
TPSA225.75 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001694.32
LogP ≤ 525.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol with MolForge

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Related Compounds

2,6-Bis{bis(2-pyridylmethyl)aminomethyl}-4-t-butylphenol
CID 12125964
2,6-Bis[bis(2-pyridylmethyl)-aminomethyl]-4-methylphenol
CID 18767359
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
4-(Tert-butyl)-2-((tert-butylamino)methyl)-6-(6-(trifluoromethyl)pyridin-3-yl)phenol
CID 71816504
2-((Tert-butylamino)methyl)-4,6-bis(6-(trifluoromethyl)pyridin-3-yl)phenol
CID 90122616
4-Tert-butyl-2-[6-(trifluoromethyl)pyridin-3-yl]-6-[(3,3,3-trifluoropropylamino)methyl]phenol
CID 90122678
2-[(Tert-butylamino)methyl]-4-(4-fluorophenyl)-6-[6-(trifluoromethyl)pyridin-3-yl]phenol;hydrochloride
CID 90122705
2-[(Tert-butylamino)methyl]-4-(4-fluorophenyl)-6-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 90122706
2-[(Tert-butylamino)methyl]-4-(3-fluorophenyl)-6-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 90122731
2-[(Tert-butylamino)methyl]-4-(3-fluorophenyl)-6-[6-(trifluoromethyl)pyridin-3-yl]phenol;hydrochloride
CID 90122763
2-[(Tert-butylamino)methyl]-6-phenyl-4-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 90122829
4-Tert-butyl-2-[[3-(tert-butylamino)propylamino]methyl]-6-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 90122933

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol (CID 160855374) is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol is CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(F)cn2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2cccc(C(F)(F)F)n2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncccc2F)c1O.Cc1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.Cc1ccnc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)c1.
What is the InChIKey of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is SJUFCSGCPLQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O.2C21H30N2O.2C20H27FN2O/c1-19(2,3)14-10-13(12-25-20(4,5)6)18(27)15(11-14)16-8-7-9-17(26-16)21(22,23)24;1-14-8-9-15(12-22-14)18-11-17(20(2,3)4)10-16(19(18)24)13-23-21(5,6)7;1-14-8-9-22-18(10-14)17-12-16(20(2,3)4)11-15(19(17)24)13-23-21(5,6)7;1-19(2,3)14-9-13(11-23-20(4,5)6)18(24)16(10-14)17-8-7-15(21)12-22-17;1-19(2,3)14-10-13(12-23-20(4,5)6)18(24)15(11-14)17-16(21)8-7-9-22-17/h7-11,25,27H,12H2,1-6H3;2*8-12,23-24H,13H2,1-7H3;7-10,12,23-24H,11H2,1-6H3;7-11,23-24H,12H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol?
4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 1694.32 g/mol, XLogP of 25.11, 15 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 160855374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).