N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine

C21H22N2 — CID 10518487

IUPACN-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3
InChIInChI=1S/C21H22N2/c1-15-11-12-20-18(13-15)21(17-9-5-6-10-19(17)23-20)22-14-16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyQBTINTSOUQAAND-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.03
Rot. Bonds3

About N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine

N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10518487) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10518487
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3
InChIInChI=1S/C21H22N2/c1-15-11-12-20-18(13-15)21(17-9-5-6-10-19(17)23-20)22-14-16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyQBTINTSOUQAAND-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine (CID 10518487) is N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine is Cc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3.
What is the InChIKey of N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is QBTINTSOUQAAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-15-11-12-20-18(13-15)21(17-9-5-6-10-19(17)23-20)22-14-16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,22,23).
What are the key properties of N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 302.42 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10518487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).