4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine

C18H21N3O — CID 142908581

IUPAC4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
SMILESC/N=C/c1c(N)nc2c(c1-c1ccc(OC)cc1)CCCC2
InChIInChI=1S/C18H21N3O/c1-20-11-15-17(12-7-9-13(22-2)10-8-12)14-5-3-4-6-16(14)21-18(15)19/h7-11H,3-6H2,1-2H3,(H2,19,21)/b20-11+
InChIKeyXLWOGAPBEMMQLU-RGVLZGJSSA-N
MW295.39 g/mol
LogP3.27
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine

4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine (PubChem CID 142908581) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
PubChem CID142908581
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
SMILESC/N=C/c1c(N)nc2c(c1-c1ccc(OC)cc1)CCCC2
InChIInChI=1S/C18H21N3O/c1-20-11-15-17(12-7-9-13(22-2)10-8-12)14-5-3-4-6-16(14)21-18(15)19/h7-11H,3-6H2,1-2H3,(H2,19,21)/b20-11+
InChIKeyXLWOGAPBEMMQLU-RGVLZGJSSA-N
XLogP3.27
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine (CID 142908581) is 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine is C/N=C/c1c(N)nc2c(c1-c1ccc(OC)cc1)CCCC2.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The InChIKey is XLWOGAPBEMMQLU-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-11-15-17(12-7-9-13(22-2)10-8-12)14-5-3-4-6-16(14)21-18(15)19/h7-11H,3-6H2,1-2H3,(H2,19,21)/b20-11+.
What are the key properties of 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine is sourced from PubChem (CID 142908581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).