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

C103H141F7N12O5 — CID 158508975

IUPAC4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol
SMILESCC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccncc2C(F)(F)F)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncccc2C(F)(F)F)c1O.Cc1cnc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.Cc1ncc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cc1F.Cc1ncc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1
InChIInChI=1S/2C21H27F3N2O.C21H29FN2O.2C20H29N3O/c1-19(2,3)14-9-13(11-26-20(4,5)6)18(27)16(10-14)15-7-8-25-12-17(15)21(22,23)24;1-19(2,3)14-10-13(12-26-20(4,5)6)18(27)15(11-14)17-16(21(22,23)24)8-7-9-25-17;1-13-18(22)9-14(11-23-13)17-10-16(20(2,3)4)8-15(19(17)25)12-24-21(5,6)7;1-13-21-10-15(11-22-13)17-9-16(19(2,3)4)8-14(18(17)24)12-23-20(5,6)7;1-13-10-22-17(12-21-13)16-9-15(19(2,3)4)8-14(18(16)24)11-23-20(5,6)7/h7-10,12,26-27H,11H2,1-6H3;7-11,26-27H,12H2,1-6H3;8-11,24-25H,12H2,1-7H3;8-11,23-24H,12H2,1-7H3;8-10,12,23-24H,11H2,1-7H3
InChIKeyHKUVDBZHZREXPQ-UHFFFAOYSA-N
MW1760.33 g/mol
LogP25.09
Rot. Bonds15

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

4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol (PubChem CID 158508975) has the molecular formula C103H141F7N12O5 and a molecular weight of 1760.33 g/mol. Its IUPAC name is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol
PubChem CID158508975
Molecular FormulaC103H141F7N12O5
Molecular Weight1760.33 g/mol
Exact Mass1759.10
IUPAC Name4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol
SMILESCC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccncc2C(F)(F)F)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncccc2C(F)(F)F)c1O.Cc1cnc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.Cc1ncc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cc1F.Cc1ncc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1
InChIInChI=1S/2C21H27F3N2O.C21H29FN2O.2C20H29N3O/c1-19(2,3)14-9-13(11-26-20(4,5)6)18(27)16(10-14)15-7-8-25-12-17(15)21(22,23)24;1-19(2,3)14-10-13(12-26-20(4,5)6)18(27)15(11-14)17-16(21(22,23)24)8-7-9-25-17;1-13-18(22)9-14(11-23-13)17-10-16(20(2,3)4)8-15(19(17)25)12-24-21(5,6)7;1-13-21-10-15(11-22-13)17-9-16(19(2,3)4)8-14(18(17)24)12-23-20(5,6)7;1-13-10-22-17(12-21-13)16-9-15(19(2,3)4)8-14(18(16)24)11-23-20(5,6)7/h7-10,12,26-27H,11H2,1-6H3;7-11,26-27H,12H2,1-6H3;8-11,24-25H,12H2,1-7H3;8-11,23-24H,12H2,1-7H3;8-10,12,23-24H,11H2,1-7H3
InChIKeyHKUVDBZHZREXPQ-UHFFFAOYSA-N
XLogP25.09
TPSA251.53 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001760.33
LogP ≤ 525.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[[4-[5-[[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]-[(2S)-2-methylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292577
4-[2-[[4-[3-[(tert-butylamino)methyl]phenyl]pyrimidin-2-yl]-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]amino]ethyl]phenol
CID 139292626
4-[2-[[4-[3-[[[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]-piperazin-1-ylmethyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292662
3-[1-[[3-[2-[[[5-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]-3-pyridinyl]-[(2S)-2-methylpiperazin-1-yl]methyl]-[2-(4-hydroxyphenyl)ethyl]amino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid
CID 139292771
4-[2-[[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-(2-ethyl-4-methylpiperazin-1-yl)methyl]-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292877
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
2-(Aminomethyl)-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(1-aminopropan-2-ylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(3-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(4-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 157400909
4-Ethyl-2-(4-methoxy-3-methylphenyl)pyrimidine;2-ethyl-6-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine;2-(4-methoxy-3-methylphenyl)-6-methylpyridin-3-amine;2-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 157931606
2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
CID 158084477
4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone
CID 158473172
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 158835997
2-[(3-Aminopropylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[3-(tert-butylamino)propylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[2-(diethylamino)ethylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[5-(diethylamino)pentan-2-ylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[3-(diethylamino)propylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 159622790

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol (CID 158508975) is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol is CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccncc2C(F)(F)F)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncccc2C(F)(F)F)c1O.Cc1cnc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.Cc1ncc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cc1F.Cc1ncc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.
What is the InChIKey of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol?
The InChIKey is HKUVDBZHZREXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H27F3N2O.C21H29FN2O.2C20H29N3O/c1-19(2,3)14-9-13(11-26-20(4,5)6)18(27)16(10-14)15-7-8-25-12-17(15)21(22,23)24;1-19(2,3)14-10-13(12-26-20(4,5)6)18(27)15(11-14)17-16(21(22,23)24)8-7-9-25-17;1-13-18(22)9-14(11-23-13)17-10-16(20(2,3)4)8-15(19(17)25)12-24-21(5,6)7;1-13-21-10-15(11-22-13)17-9-16(19(2,3)4)8-14(18(17)24)12-23-20(5,6)7;1-13-10-22-17(12-21-13)16-9-15(19(2,3)4)8-14(18(16)24)11-23-20(5,6)7/h7-10,12,26-27H,11H2,1-6H3;7-11,26-27H,12H2,1-6H3;8-11,24-25H,12H2,1-7H3;8-11,23-24H,12H2,1-7H3;8-10,12,23-24H,11H2,1-7H3.
What are the key properties of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol?
4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol has a molecular weight of 1760.33 g/mol, XLogP of 25.09, 15 rotatable bonds, 10 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-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol is sourced from PubChem (CID 158508975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).