2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol

C30H38N2O2 — CID 24894075

IUPAC2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c2c(n1)CCCC2Nc1ccccc1CCO
InChIInChI=1S/C30H38N2O2/c1-5-21-12-9-13-22(6-2)29(21)27-19-28(34-20(3)4)30-25(15-10-16-26(30)32-27)31-24-14-8-7-11-23(24)17-18-33/h7-9,11-14,19-20,25,31,33H,5-6,10,15-18H2,1-4H3
InChIKeyOTZFBBYPIRPLBY-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.68
Rot. Bonds9

About 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol

2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol (PubChem CID 24894075) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol
PubChem CID24894075
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c2c(n1)CCCC2Nc1ccccc1CCO
InChIInChI=1S/C30H38N2O2/c1-5-21-12-9-13-22(6-2)29(21)27-19-28(34-20(3)4)30-25(15-10-16-26(30)32-27)31-24-14-8-7-11-23(24)17-18-33/h7-9,11-14,19-20,25,31,33H,5-6,10,15-18H2,1-4H3
InChIKeyOTZFBBYPIRPLBY-UHFFFAOYSA-N
XLogP6.68
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol (CID 24894075) is 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol is CCc1cccc(CC)c1-c1cc(OC(C)C)c2c(n1)CCCC2Nc1ccccc1CCO.
What is the InChIKey of 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol?
The InChIKey is OTZFBBYPIRPLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-5-21-12-9-13-22(6-2)29(21)27-19-28(34-20(3)4)30-25(15-10-16-26(30)32-27)31-24-14-8-7-11-23(24)17-18-33/h7-9,11-14,19-20,25,31,33H,5-6,10,15-18H2,1-4H3.
What are the key properties of 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol?
2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol has a molecular weight of 458.65 g/mol, XLogP of 6.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,6-diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol is sourced from PubChem (CID 24894075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).