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

C21H21ClN2O — CID 122199178

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1
InChIInChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-12-15(22)8-11-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)
InChIKeyJLVGFOSIFYSMHY-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.39
Rot. Bonds4

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

6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 122199178) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID122199178
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1
InChIInChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-12-15(22)8-11-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)
InChIKeyJLVGFOSIFYSMHY-UHFFFAOYSA-N
XLogP5.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 122199178) is 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(CNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is JLVGFOSIFYSMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-12-15(22)8-11-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 352.87 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 122199178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).