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

C27H32N2O — CID 25191388

IUPAC2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1ccccc1
InChIInChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
InChIKeyBGVMOAYPPKYPSF-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.40
Rot. Bonds6

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

2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25191388) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25191388
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1ccccc1
InChIInChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
InChIKeyBGVMOAYPPKYPSF-UHFFFAOYSA-N
XLogP6.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.40
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-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25191388) is 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1ccccc1.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is BGVMOAYPPKYPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 400.57 g/mol, XLogP of 6.40, 6 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-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25191388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).