N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine

C20H19ClN2 — CID 10711007

IUPACN-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESClc1ccc2c(NCc3ccccc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
InChIKeyYJGBKRNWMAQSOS-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.38
Rot. Bonds3

About N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine

N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10711007) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10711007
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC NameN-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESClc1ccc2c(NCc3ccccc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
InChIKeyYJGBKRNWMAQSOS-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine (CID 10711007) is N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine is Clc1ccc2c(NCc3ccccc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is YJGBKRNWMAQSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23).
What are the key properties of N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine?
N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 322.84 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10711007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).