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

C29H36N2O2 — CID 25192493

IUPAC2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cc(OC)ccc1C
InChIInChI=1S/C29H36N2O2/c1-7-20-11-9-12-21(8-2)28(20)24-18-27(33-6)29-23(30-24)13-10-14-25(29)31(4)26-17-22(32-5)16-15-19(26)3/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3
InChIKeyDOKDYONJNNVZHC-UHFFFAOYSA-N
MW444.62 g/mol
LogP6.71
Rot. Bonds7

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

2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192493) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192493
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cc(OC)ccc1C
InChIInChI=1S/C29H36N2O2/c1-7-20-11-9-12-21(8-2)28(20)24-18-27(33-6)29-23(30-24)13-10-14-25(29)31(4)26-17-22(32-5)16-15-19(26)3/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3
InChIKeyDOKDYONJNNVZHC-UHFFFAOYSA-N
XLogP6.71
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine 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-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192493) is 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cc(OC)ccc1C.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is DOKDYONJNNVZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-7-20-11-9-12-21(8-2)28(20)24-18-27(33-6)29-23(30-24)13-10-14-25(29)31(4)26-17-22(32-5)16-15-19(26)3/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 444.62 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).