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

C32H36N2O — CID 25192897

IUPAC2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1c(C)ccc2ccccc12
InChIInChI=1S/C32H36N2O/c1-6-22-13-10-14-23(7-2)30(22)27-20-29(35-5)31-26(33-27)16-11-17-28(31)34(4)32-21(3)18-19-24-12-8-9-15-25(24)32/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3
InChIKeyCTFCGPRALFQSJL-UHFFFAOYSA-N
MW464.65 g/mol
LogP7.86
Rot. Bonds6

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

2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192897) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192897
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1c(C)ccc2ccccc12
InChIInChI=1S/C32H36N2O/c1-6-22-13-10-14-23(7-2)30(22)27-20-29(35-5)31-26(33-27)16-11-17-28(31)34(4)32-21(3)18-19-24-12-8-9-15-25(24)32/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3
InChIKeyCTFCGPRALFQSJL-UHFFFAOYSA-N
XLogP7.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 57.86
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-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192897) is 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1c(C)ccc2ccccc12.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is CTFCGPRALFQSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O/c1-6-22-13-10-14-23(7-2)30(22)27-20-29(35-5)31-26(33-27)16-11-17-28(31)34(4)32-21(3)18-19-24-12-8-9-15-25(24)32/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-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 464.65 g/mol, XLogP of 7.86, 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-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).