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

C117H164F15N15O5 — CID 159622790

IUPAC2-[(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
SMILESCC(C)(C)NCCCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)c1cc(CNCCCN)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CCN(CC)CCCC(C)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)CCCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)CCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O
InChIInChI=1S/C26H38F3N3O.2C24H34F3N3O.C23H32F3N3O.C20H26F3N3O/c1-7-32(8-2)13-9-10-18(3)30-17-20-14-21(25(4,5)6)15-22(24(20)33)19-11-12-23(31-16-19)26(27,28)29;1-22(2,3)18-12-17(14-28-10-7-11-30-23(4,5)6)21(31)19(13-18)16-8-9-20(29-15-16)24(25,26)27;1-6-30(7-2)12-8-11-28-15-18-13-19(23(3,4)5)14-20(22(18)31)17-9-10-21(29-16-17)24(25,26)27;1-6-29(7-2)11-10-27-14-17-12-18(22(3,4)5)13-19(21(17)30)16-8-9-20(28-15-16)23(24,25)26;1-19(2,3)15-9-14(11-25-8-4-7-24)18(27)16(10-15)13-5-6-17(26-12-13)20(21,22)23/h11-12,14-16,18,30,33H,7-10,13,17H2,1-6H3;8-9,12-13,15,28,30-31H,7,10-11,14H2,1-6H3;9-10,13-14,16,28,31H,6-8,11-12,15H2,1-5H3;8-9,12-13,15,27,30H,6-7,10-11,14H2,1-5H3;5-6,9-10,12,25,27H,4,7-8,11,24H2,1-3H3
InChIKeyMOCIRUFXOQGADV-UHFFFAOYSA-N
MW2145.67 g/mol
LogP27.01
Rot. Bonds40

About 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

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 (PubChem CID 159622790) has the molecular formula C117H164F15N15O5 and a molecular weight of 2145.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID159622790
Molecular FormulaC117H164F15N15O5
Molecular Weight2145.67 g/mol
Exact Mass2144.28
IUPAC Name2-[(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
SMILESCC(C)(C)NCCCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)c1cc(CNCCCN)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CCN(CC)CCCC(C)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)CCCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)CCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O
InChIInChI=1S/C26H38F3N3O.2C24H34F3N3O.C23H32F3N3O.C20H26F3N3O/c1-7-32(8-2)13-9-10-18(3)30-17-20-14-21(25(4,5)6)15-22(24(20)33)19-11-12-23(31-16-19)26(27,28)29;1-22(2,3)18-12-17(14-28-10-7-11-30-23(4,5)6)21(31)19(13-18)16-8-9-20(29-15-16)24(25,26)27;1-6-30(7-2)12-8-11-28-15-18-13-19(23(3,4)5)14-20(22(18)31)17-9-10-21(29-16-17)24(25,26)27;1-6-29(7-2)11-10-27-14-17-12-18(22(3,4)5)13-19(21(17)30)16-8-9-20(28-15-16)23(24,25)26;1-19(2,3)15-9-14(11-25-8-4-7-24)18(27)16(10-15)13-5-6-17(26-12-13)20(21,22)23/h11-12,14-16,18,30,33H,7-10,13,17H2,1-6H3;8-9,12-13,15,28,30-31H,7,10-11,14H2,1-6H3;9-10,13-14,16,28,31H,6-8,11-12,15H2,1-5H3;8-9,12-13,15,27,30H,6-7,10-11,14H2,1-5H3;5-6,9-10,12,25,27H,4,7-8,11,24H2,1-3H3
InChIKeyMOCIRUFXOQGADV-UHFFFAOYSA-N
XLogP27.01
TPSA273.52 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.67
LogP ≤ 527.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
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-[[2-(diethylamino)ethylamino]methyl]-6-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 86718596
2-((Tert-butylamino)methyl)-4,6-bis(6-(trifluoromethyl)pyridin-3-yl)phenol
CID 90122616
2-[(Tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 90152248
4-Tert-butyl-2-(piperazin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 90154079
2-[4-(3,5-Ditert-butylphenyl)-6-(2,6-difluoro-5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]phenol
CID 136012905
2-[(Z)-6-amino-4-hydroxy-2-methyl-7-[2-[2-(methylamino)ethyl]-4-pyridinyl]-4-(trifluoromethyl)hept-6-en-2-yl]-4-pyridin-3-ylphenol;ethane
CID 143024481
2-[(Z)-4-hydroxy-2-methyl-6-(methylamino)-7-[6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(trifluoromethyl)hept-6-en-2-yl]-4-pyridin-3-ylphenol
CID 143024659
2-[(Z)-6-amino-4-hydroxy-2-methyl-7-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-4-(trifluoromethyl)hept-6-en-2-yl]-4-pyridin-3-ylphenol
CID 143024681

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)NCCCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)c1cc(CNCCCN)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CCN(CC)CCCC(C)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)CCCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.CCN(CC)CCNCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.
What is the InChIKey of 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?
The InChIKey is MOCIRUFXOQGADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38F3N3O.2C24H34F3N3O.C23H32F3N3O.C20H26F3N3O/c1-7-32(8-2)13-9-10-18(3)30-17-20-14-21(25(4,5)6)15-22(24(20)33)19-11-12-23(31-16-19)26(27,28)29;1-22(2,3)18-12-17(14-28-10-7-11-30-23(4,5)6)21(31)19(13-18)16-8-9-20(29-15-16)24(25,26)27;1-6-30(7-2)12-8-11-28-15-18-13-19(23(3,4)5)14-20(22(18)31)17-9-10-21(29-16-17)24(25,26)27;1-6-29(7-2)11-10-27-14-17-12-18(22(3,4)5)13-19(21(17)30)16-8-9-20(28-15-16)23(24,25)26;1-19(2,3)15-9-14(11-25-8-4-7-24)18(27)16(10-15)13-5-6-17(26-12-13)20(21,22)23/h11-12,14-16,18,30,33H,7-10,13,17H2,1-6H3;8-9,12-13,15,28,30-31H,7,10-11,14H2,1-6H3;9-10,13-14,16,28,31H,6-8,11-12,15H2,1-5H3;8-9,12-13,15,27,30H,6-7,10-11,14H2,1-5H3;5-6,9-10,12,25,27H,4,7-8,11,24H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2145.67 g/mol, XLogP of 27.01, 40 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159622790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).