9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

C21H22N2O2 — CID 3025617

IUPAC9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESCOc1cccc(CNc2c3c(nc4ccccc24)CCCC3O)c1
InChIInChI=1S/C21H22N2O2/c1-25-15-7-4-6-14(12-15)13-22-21-16-8-2-3-9-17(16)23-18-10-5-11-19(24)20(18)21/h2-4,6-9,12,19,24H,5,10-11,13H2,1H3,(H,22,23)
InChIKeyDKUJACOBAKIJQF-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.23
Rot. Bonds4

About 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025617) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025617
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESCOc1cccc(CNc2c3c(nc4ccccc24)CCCC3O)c1
InChIInChI=1S/C21H22N2O2/c1-25-15-7-4-6-14(12-15)13-22-21-16-8-2-3-9-17(16)23-18-10-5-11-19(24)20(18)21/h2-4,6-9,12,19,24H,5,10-11,13H2,1H3,(H,22,23)
InChIKeyDKUJACOBAKIJQF-UHFFFAOYSA-N
XLogP4.23
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025617) is 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is COc1cccc(CNc2c3c(nc4ccccc24)CCCC3O)c1.
What is the InChIKey of 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is DKUJACOBAKIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-15-7-4-6-14(12-15)13-22-21-16-8-2-3-9-17(16)23-18-10-5-11-19(24)20(18)21/h2-4,6-9,12,19,24H,5,10-11,13H2,1H3,(H,22,23).
What are the key properties of 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 334.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).