2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine

C28H34N2O — CID 25192635

IUPAC2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1ccccc1NC1CCCc2nc(-c3c(CC)cccc3CC)cc(OC)c21
InChIInChI=1S/C28H34N2O/c1-5-19-12-8-9-15-22(19)29-23-16-11-17-24-28(23)26(31-4)18-25(30-24)27-20(6-2)13-10-14-21(27)7-3/h8-10,12-15,18,23,29H,5-7,11,16-17H2,1-4H3
InChIKeyAPBBOOMZHRZQBM-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.93
Rot. Bonds7

About 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine

2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192635) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192635
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1ccccc1NC1CCCc2nc(-c3c(CC)cccc3CC)cc(OC)c21
InChIInChI=1S/C28H34N2O/c1-5-19-12-8-9-15-22(19)29-23-16-11-17-24-28(23)26(31-4)18-25(30-24)27-20(6-2)13-10-14-21(27)7-3/h8-10,12-15,18,23,29H,5-7,11,16-17H2,1-4H3
InChIKeyAPBBOOMZHRZQBM-UHFFFAOYSA-N
XLogP6.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192635) is 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine is CCc1ccccc1NC1CCCc2nc(-c3c(CC)cccc3CC)cc(OC)c21.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is APBBOOMZHRZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-5-19-12-8-9-15-22(19)29-23-16-11-17-24-28(23)26(31-4)18-25(30-24)27-20(6-2)13-10-14-21(27)7-3/h8-10,12-15,18,23,29H,5-7,11,16-17H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 414.59 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).