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

C29H36N2O — CID 25192634

IUPAC2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cc(C)ccc1C
InChIInChI=1S/C29H36N2O/c1-7-21-11-9-12-22(8-2)28(21)24-18-27(32-6)29-23(30-24)13-10-14-25(29)31(5)26-17-19(3)15-16-20(26)4/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3
InChIKeyOCBXNASIFNRGMJ-UHFFFAOYSA-N
MW428.62 g/mol
LogP7.01
Rot. Bonds6

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

2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192634) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192634
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC Name2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cc(C)ccc1C
InChIInChI=1S/C29H36N2O/c1-7-21-11-9-12-22(8-2)28(21)24-18-27(32-6)29-23(30-24)13-10-14-25(29)31(5)26-17-19(3)15-16-20(26)4/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3
InChIKeyOCBXNASIFNRGMJ-UHFFFAOYSA-N
XLogP7.01
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 57.01
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-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192634) is 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is OCBXNASIFNRGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O/c1-7-21-11-9-12-22(8-2)28(21)24-18-27(32-6)29-23(30-24)13-10-14-25(29)31(5)26-17-19(3)15-16-20(26)4/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3.
What are the key properties of 2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 428.62 g/mol, XLogP of 7.01, 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)-N-(2,5-dimethylphenyl)-4-methoxy-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).