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

C28H34N2O — CID 25192490

IUPAC2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(C)ccc1C
InChIInChI=1S/C28H34N2O/c1-6-20-10-8-11-21(7-2)27(20)25-17-26(31-5)28-22(12-9-13-23(28)30-25)29-24-16-18(3)14-15-19(24)4/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3
InChIKeyMYPDFKCKAILAMW-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.99
Rot. Bonds6

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

2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192490) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192490
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(C)ccc1C
InChIInChI=1S/C28H34N2O/c1-6-20-10-8-11-21(7-2)27(20)25-17-26(31-5)28-22(12-9-13-23(28)30-25)29-24-16-18(3)14-15-19(24)4/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3
InChIKeyMYPDFKCKAILAMW-UHFFFAOYSA-N
XLogP6.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.99
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-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192490) is 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(C)ccc1C.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is MYPDFKCKAILAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-6-20-10-8-11-21(7-2)27(20)25-17-26(31-5)28-22(12-9-13-23(28)30-25)29-24-16-18(3)14-15-19(24)4/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3.
What are the key properties of 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 414.59 g/mol, XLogP of 6.99, 6 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-(2,5-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).