[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol

C27H32N2O2 — CID 25191900

IUPAC[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccccc1CO
InChIInChI=1S/C27H32N2O2/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)29-24)28-21-13-7-6-10-20(21)17-30/h6-8,10-13,16,22,28,30H,4-5,9,14-15,17H2,1-3H3
InChIKeyGNIBGPISNCZPAE-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.86
Rot. Bonds7

About [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol

[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol (PubChem CID 25191900) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol
PubChem CID25191900
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccccc1CO
InChIInChI=1S/C27H32N2O2/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)29-24)28-21-13-7-6-10-20(21)17-30/h6-8,10-13,16,22,28,30H,4-5,9,14-15,17H2,1-3H3
InChIKeyGNIBGPISNCZPAE-UHFFFAOYSA-N
XLogP5.86
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
The IUPAC name of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol (CID 25191900) is [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol.
What is the SMILES notation for [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
The canonical SMILES for [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccccc1CO.
What is the InChIKey of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
The InChIKey is GNIBGPISNCZPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)29-24)28-21-13-7-6-10-20(21)17-30/h6-8,10-13,16,22,28,30H,4-5,9,14-15,17H2,1-3H3.
What are the key properties of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol has a molecular weight of 416.57 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol is sourced from PubChem (CID 25191900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).