7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine

C21H21ClN2O2 — CID 5323086

IUPAC7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(OC)c(Nc2c3c(nc4ccc(Cl)cc24)CCCC3)c1
InChIInChI=1S/C21H21ClN2O2/c1-25-14-8-10-20(26-2)19(12-14)24-21-15-5-3-4-6-17(15)23-18-9-7-13(22)11-16(18)21/h7-12H,3-6H2,1-2H3,(H,23,24)
InChIKeyZVRLPUMBYXTAMF-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.53
Rot. Bonds4

About 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine

7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 5323086) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID5323086
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(OC)c(Nc2c3c(nc4ccc(Cl)cc24)CCCC3)c1
InChIInChI=1S/C21H21ClN2O2/c1-25-14-8-10-20(26-2)19(12-14)24-21-15-5-3-4-6-17(15)23-18-9-7-13(22)11-16(18)21/h7-12H,3-6H2,1-2H3,(H,23,24)
InChIKeyZVRLPUMBYXTAMF-UHFFFAOYSA-N
XLogP5.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 5323086) is 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(OC)c(Nc2c3c(nc4ccc(Cl)cc24)CCCC3)c1.
What is the InChIKey of 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is ZVRLPUMBYXTAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-25-14-8-10-20(26-2)19(12-14)24-21-15-5-3-4-6-17(15)23-18-9-7-13(22)11-16(18)21/h7-12H,3-6H2,1-2H3,(H,23,24).
What are the key properties of 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 368.86 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 5323086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).