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

C21H22N2 — CID 175457646

IUPACN-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCN(Cc1ccccc1)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H22N2/c1-23(15-16-9-3-2-4-10-16)21-17-11-5-7-13-19(17)22-20-14-8-6-12-18(20)21/h2-5,7,9-11,13H,6,8,12,14-15H2,1H3
InChIKeyBFIRDWPTTIPFAT-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.75
Rot. Bonds3

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

N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 175457646) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID175457646
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCN(Cc1ccccc1)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H22N2/c1-23(15-16-9-3-2-4-10-16)21-17-11-5-7-13-19(17)22-20-14-8-6-12-18(20)21/h2-5,7,9-11,13H,6,8,12,14-15H2,1H3
InChIKeyBFIRDWPTTIPFAT-UHFFFAOYSA-N
XLogP4.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (CID 175457646) is N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is CN(Cc1ccccc1)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is BFIRDWPTTIPFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-23(15-16-9-3-2-4-10-16)21-17-11-5-7-13-19(17)22-20-14-8-6-12-18(20)21/h2-5,7,9-11,13H,6,8,12,14-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 302.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 175457646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).