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

C27H32N2O — CID 25192765

IUPAC2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccccc1C
InChIInChI=1S/C27H32N2O/c1-5-19-12-9-13-20(6-2)26(19)24-17-25(30-4)27-22(15-10-16-23(27)29-24)28-21-14-8-7-11-18(21)3/h7-9,11-14,17,22,28H,5-6,10,15-16H2,1-4H3
InChIKeyZNEYMKBUYJEGSJ-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.68
Rot. Bonds6

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

2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192765) 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-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192765
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccccc1C
InChIInChI=1S/C27H32N2O/c1-5-19-12-9-13-20(6-2)26(19)24-17-25(30-4)27-22(15-10-16-23(27)29-24)28-21-14-8-7-11-18(21)3/h7-9,11-14,17,22,28H,5-6,10,15-16H2,1-4H3
InChIKeyZNEYMKBUYJEGSJ-UHFFFAOYSA-N
XLogP6.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.68
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)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192765) is 2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccccc1C.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is ZNEYMKBUYJEGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-5-19-12-9-13-20(6-2)26(19)24-17-25(30-4)27-22(15-10-16-23(27)29-24)28-21-14-8-7-11-18(21)3/h7-9,11-14,17,22,28H,5-6,10,15-16H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 400.57 g/mol, XLogP of 6.68, 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)-4-methoxy-N-(2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).