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

C31H34N2O2 — CID 25192050

IUPACN-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3c(C)cc(OC)cc3C)cc(OC)c21
InChIInChI=1S/C31H34N2O2/c1-6-33(27-15-9-12-22-11-7-8-13-24(22)27)28-16-10-14-25-31(28)29(35-5)19-26(32-25)30-20(2)17-23(34-4)18-21(30)3/h7-9,11-13,15,17-19,28H,6,10,14,16H2,1-5H3
InChIKeyWEOGYMUCKHNUPQ-UHFFFAOYSA-N
MW466.63 g/mol
LogP7.44
Rot. Bonds6

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

N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192050) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192050
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC NameN-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3c(C)cc(OC)cc3C)cc(OC)c21
InChIInChI=1S/C31H34N2O2/c1-6-33(27-15-9-12-22-11-7-8-13-24(22)27)28-16-10-14-25-31(28)29(35-5)19-26(32-25)30-20(2)17-23(34-4)18-21(30)3/h7-9,11-13,15,17-19,28H,6,10,14,16H2,1-5H3
InChIKeyWEOGYMUCKHNUPQ-UHFFFAOYSA-N
XLogP7.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192050) is N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCN(c1cccc2ccccc12)C1CCCc2nc(-c3c(C)cc(OC)cc3C)cc(OC)c21.
What is the InChIKey of N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is WEOGYMUCKHNUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-6-33(27-15-9-12-22-11-7-8-13-24(22)27)28-16-10-14-25-31(28)29(35-5)19-26(32-25)30-20(2)17-23(34-4)18-21(30)3/h7-9,11-13,15,17-19,28H,6,10,14,16H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 466.63 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2-(4-methoxy-2,6-dimethylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).