4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol

C118H159F6N11O7 — CID 159069860

About 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol

4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol (PubChem CID 159069860) has the molecular formula C118H159F6N11O7 and a molecular weight of 1957.63 g/mol. Its IUPAC name is 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol.

Molecular Properties

• Compound Name: 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol
• PubChem CID: 159069860
• Molecular Formula: C118H159F6N11O7
• Molecular Weight: 1957.63 g/mol
• Exact Mass: 1956.23
• IUPAC Name: 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol
• SMILES: CC(C)(C)c1ccc2c(c1)CC(CCC(O)CO)C(c1cccc(O)c1)N2.CCN(CCO)CC(O)CCC1Cc2cc(C(F)(F)F)ccc2NC1c1ccccc1.CCN(CCO)CCC1Cc2cc(C(F)(F)F)ccc2NC1c1ccccc1.CCc1ccc2c(c1)CC(CCCN(C)C)C(c1ccccc1)N2.CN(C)CCNC(=O)NCCC[C@@H]1Cc2cc(C(C)(C)C)ccc2N[C@H]1c1ccccc1
• InChI: InChI=1S/C27H40N4O.C24H31F3N2O2.C23H31NO3.C22H27F3N2O.C22H30N2/c1-27(2,3)23-13-14-24-22(19-23)18-21(25(30-24)20-10-7-6-8-11-20)12-9-15-28-26(32)29-16-17-31(4)5;1-2-29(12-13-30)16-21(31)10-8-18-14-19-15-20(24(25,26)27)9-11-22(19)28-23(18)17-6-4-3-5-7-17;1-23(2,3)18-8-10-21-17(12-18)11-16(7-9-20(27)14-25)22(24-21)15-5-4-6-19(26)13-15;1-2-27(12-13-28)11-10-17-14-18-15-19(22(23,24)25)8-9-20(18)26-21(17)16-6-4-3-5-7-16;1-4-17-12-13-21-20(15-17)16-19(11-8-14-24(2)3)22(23-21)18-9-6-5-7-10-18/h6-8,10-11,13-14,19,21,25,30H,9,12,15-18H2,1-5H3,(H2,28,29,32);3-7,9,11,15,18,21,23,28,30-31H,2,8,10,12-14,16H2,1H3;4-6,8,10,12-13,16,20,22,24-27H,7,9,11,14H2,1-3H3;3-9,15,17,21,26,28H,2,10-14H2,1H3;5-7,9-10,12-13,15,19,22-23H,4,8,11,14,16H2,1-3H3/t21-,25+;;;;/m1..../s1
• InChIKey: JZMWIKLUEBOGKZ-QBVLSGOISA-N
• XLogP: 23.24
• TPSA: 235.62 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.63
LogP ≤ 5	23.24
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol?

The IUPAC name of 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol (CID 159069860) is 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol.

What is the SMILES notation for 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol?

The canonical SMILES for 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol is CC(C)(C)c1ccc2c(c1)CC(CCC(O)CO)C(c1cccc(O)c1)N2.CCN(CCO)CC(O)CCC1Cc2cc(C(F)(F)F)ccc2NC1c1ccccc1.CCN(CCO)CCC1Cc2cc(C(F)(F)F)ccc2NC1c1ccccc1.CCc1ccc2c(c1)CC(CCCN(C)C)C(c1ccccc1)N2.CN(C)CCNC(=O)NCCC[C@@H]1Cc2cc(C(C)(C)C)ccc2N[C@H]1c1ccccc1.

What is the InChIKey of 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol?

The InChIKey is JZMWIKLUEBOGKZ-QBVLSGOISA-N. The full InChI is InChI=1S/C27H40N4O.C24H31F3N2O2.C23H31NO3.C22H27F3N2O.C22H30N2/c1-27(2,3)23-13-14-24-22(19-23)18-21(25(30-24)20-10-7-6-8-11-20)12-9-15-28-26(32)29-16-17-31(4)5;1-2-29(12-13-30)16-21(31)10-8-18-14-19-15-20(24(25,26)27)9-11-22(19)28-23(18)17-6-4-3-5-7-17;1-23(2,3)18-8-10-21-17(12-18)11-16(7-9-20(27)14-25)22(24-21)15-5-4-6-19(26)13-15;1-2-27(12-13-28)11-10-17-14-18-15-19(22(23,24)25)8-9-20(18)26-21(17)16-6-4-3-5-7-16;1-4-17-12-13-21-20(15-17)16-19(11-8-14-24(2)3)22(23-21)18-9-6-5-7-10-18/h6-8,10-11,13-14,19,21,25,30H,9,12,15-18H2,1-5H3,(H2,28,29,32);3-7,9,11,15,18,21,23,28,30-31H,2,8,10,12-14,16H2,1H3;4-6,8,10,12-13,16,20,22,24-27H,7,9,11,14H2,1-3H3;3-9,15,17,21,26,28H,2,10-14H2,1H3;5-7,9-10,12-13,15,19,22-23H,4,8,11,14,16H2,1-3H3/t21-,25+;;;;/m1..../s1.

What are the key properties of 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol?

4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol has a molecular weight of 1957.63 g/mol, XLogP of 23.24, 35 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]butane-1,2-diol;1-[3-[(2R,3R)-6-tert-butyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl]propyl]-3-[2-(dimethylamino)ethyl]urea;1-[ethyl(2-hydroxyethyl)amino]-4-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-2-ol;3-(6-ethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-3-yl)-N,N-dimethylpropan-1-amine;2-[ethyl-[2-[2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]ethyl]amino]ethanol is sourced from PubChem (CID 159069860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).