1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine

C22H20N2 — CID 159501628

IUPAC1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine
SMILESc1ccc(C(=Nc2ccc3c(n2)CCCC3)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)24-21-16-15-17-9-7-8-14-20(17)23-21/h1-6,10-13,15-16H,7-9,14H2
InChIKeyGGHUXKDDEOFWGA-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.13
Rot. Bonds3

About 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine

1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine (PubChem CID 159501628) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine
PubChem CID159501628
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine
SMILESc1ccc(C(=Nc2ccc3c(n2)CCCC3)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)24-21-16-15-17-9-7-8-14-20(17)23-21/h1-6,10-13,15-16H,7-9,14H2
InChIKeyGGHUXKDDEOFWGA-UHFFFAOYSA-N
XLogP5.13
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?
The IUPAC name of 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine (CID 159501628) is 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine.
What is the SMILES notation for 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?
The canonical SMILES for 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine is c1ccc(C(=Nc2ccc3c(n2)CCCC3)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?
The InChIKey is GGHUXKDDEOFWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)24-21-16-15-17-9-7-8-14-20(17)23-21/h1-6,10-13,15-16H,7-9,14H2.
What are the key properties of 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine?
1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine has a molecular weight of 312.42 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(5,6,7,8-tetrahydroquinolin-2-yl)methanimine is sourced from PubChem (CID 159501628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).