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

C32H36N2O — CID 25010731

IUPAC2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
InChIKeyPKMDVUAFJOXNKD-UHFFFAOYSA-N
MW464.65 g/mol
LogP7.94
Rot. Bonds7

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

2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25010731) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25010731
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
InChIKeyPKMDVUAFJOXNKD-UHFFFAOYSA-N
XLogP7.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 57.94
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)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25010731) is 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is PKMDVUAFJOXNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 464.65 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25010731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).