2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

C33H38N2O — CID 25191765

IUPAC2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc2c1C(N(CC)c1cccc3ccccc13)CCC2
InChIInChI=1S/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3
InChIKeyBQMYVJFIUYEZOY-UHFFFAOYSA-N
MW478.68 g/mol
LogP8.33
Rot. Bonds8

About 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25191765) has the molecular formula C33H38N2O and a molecular weight of 478.68 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25191765
Molecular FormulaC33H38N2O
Molecular Weight478.68 g/mol
Exact Mass478.30
IUPAC Name2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc2c1C(N(CC)c1cccc3ccccc13)CCC2
InChIInChI=1S/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3
InChIKeyBQMYVJFIUYEZOY-UHFFFAOYSA-N
XLogP8.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25191765) is 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCOc1cc(-c2c(CC)cccc2CC)nc2c1C(N(CC)c1cccc3ccccc13)CCC2.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is BQMYVJFIUYEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 478.68 g/mol, XLogP of 8.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25191765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).