6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine

C22H23ClN2O2 — CID 122199179

IUPAC6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC
InChIInChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)
InChIKeyJHMQETKRNMIKSU-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.40
Rot. Bonds5

About 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 122199179) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID122199179
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC
InChIInChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)
InChIKeyJHMQETKRNMIKSU-UHFFFAOYSA-N
XLogP5.40
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 122199179) is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(CNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC.
What is the InChIKey of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is JHMQETKRNMIKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25).
What are the key properties of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 382.89 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 122199179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).