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

C83H89F14N9O4 — CID 157400909

IUPAC2-(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
SMILESCC(C)(C)NCc1cc(-c2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)NCc1cc(-c2cccc(F)c2)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)c1cc(CN)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(CN)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O
InChIInChI=1S/2C23H22F4N2O.C20H26F3N3O.C17H19F3N2O/c1-22(2,3)29-13-17-10-16(14-4-7-18(24)8-5-14)11-19(21(17)30)15-6-9-20(28-12-15)23(25,26)27;1-22(2,3)29-13-17-9-16(14-5-4-6-18(24)10-14)11-19(21(17)30)15-7-8-20(28-12-15)23(25,26)27;1-12(9-24)25-11-14-7-15(19(2,3)4)8-16(18(14)27)13-5-6-17(26-10-13)20(21,22)23;1-16(2,3)12-6-11(8-21)15(23)13(7-12)10-4-5-14(22-9-10)17(18,19)20/h2*4-12,29-30H,13H2,1-3H3;5-8,10,12,25,27H,9,11,24H2,1-4H3;4-7,9,23H,8,21H2,1-3H3
InChIKeyBNDMMUJUNJRDQX-UHFFFAOYSA-N
MW1542.66 g/mol
LogP20.77
Rot. Bonds15

About 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

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 (PubChem CID 157400909) has the molecular formula C83H89F14N9O4 and a molecular weight of 1542.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157400909
Molecular FormulaC83H89F14N9O4
Molecular Weight1542.66 g/mol
Exact Mass1541.68
IUPAC Name2-(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
SMILESCC(C)(C)NCc1cc(-c2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)NCc1cc(-c2cccc(F)c2)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)c1cc(CN)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(CN)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O
InChIInChI=1S/2C23H22F4N2O.C20H26F3N3O.C17H19F3N2O/c1-22(2,3)29-13-17-10-16(14-4-7-18(24)8-5-14)11-19(21(17)30)15-6-9-20(28-12-15)23(25,26)27;1-22(2,3)29-13-17-9-16(14-5-4-6-18(24)10-14)11-19(21(17)30)15-7-8-20(28-12-15)23(25,26)27;1-12(9-24)25-11-14-7-15(19(2,3)4)8-16(18(14)27)13-5-6-17(26-10-13)20(21,22)23;1-16(2,3)12-6-11(8-21)15(23)13(7-12)10-4-5-14(22-9-10)17(18,19)20/h2*4-12,29-30H,13H2,1-3H3;5-8,10,12,25,27H,9,11,24H2,1-4H3;4-7,9,23H,8,21H2,1-3H3
InChIKeyBNDMMUJUNJRDQX-UHFFFAOYSA-N
XLogP20.77
TPSA220.61 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001542.66
LogP ≤ 520.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 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

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-(((1-Aminopropan-2-yl)amino)methyl)-4-(tert-butyl)-6-(6-(trifluoromethyl)pyridin-3-yl)phenol dihydrochloride
CID 86718601
2-[(1-Aminopropan-2-ylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 86718602
4-Tert-butyl-2-[1-(tert-butylamino)ethyl]-6-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 90122534
2-((Tert-butylamino)methyl)-4,6-bis(6-(trifluoromethyl)pyridin-3-yl)phenol
CID 90122616
4-Tert-butyl-2-[1-(tert-butylamino)ethyl]-6-[6-(trifluoromethyl)pyridin-3-yl]phenol;hydrochloride
CID 90122647
4-Tert-butyl-2-[[5-(diethylamino)pentan-2-ylamino]methyl]-6-[6-(trifluoromethyl)pyridin-3-yl]phenol
CID 90122653
2-[(Tert-butylamino)methyl]-4-(4-fluorophenyl)-6-[6-(trifluoromethyl)pyridin-3-yl]phenol;hydrochloride
CID 90122705

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)NCc1cc(-c2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)NCc1cc(-c2cccc(F)c2)cc(-c2ccc(C(F)(F)F)nc2)c1O.CC(C)(C)c1cc(CN)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(CN)NCc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)F)nc2)c1O.
What is the InChIKey of 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?
The InChIKey is BNDMMUJUNJRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22F4N2O.C20H26F3N3O.C17H19F3N2O/c1-22(2,3)29-13-17-10-16(14-4-7-18(24)8-5-14)11-19(21(17)30)15-6-9-20(28-12-15)23(25,26)27;1-22(2,3)29-13-17-9-16(14-5-4-6-18(24)10-14)11-19(21(17)30)15-7-8-20(28-12-15)23(25,26)27;1-12(9-24)25-11-14-7-15(19(2,3)4)8-16(18(14)27)13-5-6-17(26-10-13)20(21,22)23;1-16(2,3)12-6-11(8-21)15(23)13(7-12)10-4-5-14(22-9-10)17(18,19)20/h2*4-12,29-30H,13H2,1-3H3;5-8,10,12,25,27H,9,11,24H2,1-4H3;4-7,9,23H,8,21H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1542.66 g/mol, XLogP of 20.77, 15 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157400909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).