6-phenyl-1,2,3,4-tetrahydroacridin-9-amine

C19H18N2 — CID 19804321

IUPAC6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc(-c4ccccc4)ccc13)CCCC2
InChIInChI=1S/C19H18N2/c20-19-15-8-4-5-9-17(15)21-18-12-14(10-11-16(18)19)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H2,20,21)
InChIKeyLBHADESMXQAJSE-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.36
Rot. Bonds1

About 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine

6-phenyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 19804321) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID19804321
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc(-c4ccccc4)ccc13)CCCC2
InChIInChI=1S/C19H18N2/c20-19-15-8-4-5-9-17(15)21-18-12-14(10-11-16(18)19)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H2,20,21)
InChIKeyLBHADESMXQAJSE-UHFFFAOYSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine (CID 19804321) is 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3cc(-c4ccccc4)ccc13)CCCC2.
What is the InChIKey of 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LBHADESMXQAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-19-15-8-4-5-9-17(15)21-18-12-14(10-11-16(18)19)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H2,20,21).
What are the key properties of 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine?
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 274.37 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 19804321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).