2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine

C32H36N2O2 — CID 25192491

IUPAC2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1ccc(OC)c2ccccc12
InChIInChI=1S/C32H36N2O2/c1-6-21-12-10-13-22(7-2)31(21)26-20-30(36-5)32-25(33-26)16-11-17-28(32)34(3)27-18-19-29(35-4)24-15-9-8-14-23(24)27/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3
InChIKeyCIGDMCHLABXMIY-UHFFFAOYSA-N
MW480.65 g/mol
LogP7.56
Rot. Bonds7

About 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine

2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192491) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192491
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1ccc(OC)c2ccccc12
InChIInChI=1S/C32H36N2O2/c1-6-21-12-10-13-22(7-2)31(21)26-20-30(36-5)32-25(33-26)16-11-17-28(32)34(3)27-18-19-29(35-4)24-15-9-8-14-23(24)27/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3
InChIKeyCIGDMCHLABXMIY-UHFFFAOYSA-N
XLogP7.56
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192491) is 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1ccc(OC)c2ccccc12.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is CIGDMCHLABXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-6-21-12-10-13-22(7-2)31(21)26-20-30(36-5)32-25(33-26)16-11-17-28(32)34(3)27-18-19-29(35-4)24-15-9-8-14-23(24)27/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 480.65 g/mol, XLogP of 7.56, 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-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).