2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol

C32H36N2O2 — CID 25191899

IUPAC2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CCO)c1cccc2ccccc12
InChIInChI=1S/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3
InChIKeyHYMDGUVGGVZBBW-UHFFFAOYSA-N
MW480.65 g/mol
LogP6.91
Rot. Bonds8

About 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol

2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol (PubChem CID 25191899) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol
PubChem CID25191899
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CCO)c1cccc2ccccc12
InChIInChI=1S/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3
InChIKeyHYMDGUVGGVZBBW-UHFFFAOYSA-N
XLogP6.91
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol?
The IUPAC name of 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol (CID 25191899) is 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol?
The canonical SMILES for 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CCO)c1cccc2ccccc12.
What is the InChIKey of 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol?
The InChIKey is HYMDGUVGGVZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3.
What are the key properties of 2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol?
2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]ethanol has a molecular weight of 480.65 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 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]-naphthalen-1-ylamino]ethanol is sourced from PubChem (CID 25191899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).