4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol

C26H33N3O — CID 53304410

IUPAC4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol
SMILESOc1ccc(CNCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C26H33N3O/c30-21-15-13-20(14-16-21)19-27-17-7-1-2-8-18-28-26-22-9-3-5-11-24(22)29-25-12-6-4-10-23(25)26/h3,5,9,11,13-16,27,30H,1-2,4,6-8,10,12,17-19H2,(H,28,29)
InChIKeyRVKMKRMWBALNOI-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.58
Rot. Bonds10

About 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol

4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol (PubChem CID 53304410) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol
PubChem CID53304410
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol
SMILESOc1ccc(CNCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C26H33N3O/c30-21-15-13-20(14-16-21)19-27-17-7-1-2-8-18-28-26-22-9-3-5-11-24(22)29-25-12-6-4-10-23(25)26/h3,5,9,11,13-16,27,30H,1-2,4,6-8,10,12,17-19H2,(H,28,29)
InChIKeyRVKMKRMWBALNOI-UHFFFAOYSA-N
XLogP5.58
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol?
The IUPAC name of 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol (CID 53304410) is 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol.
What is the SMILES notation for 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol?
The canonical SMILES for 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol is Oc1ccc(CNCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol?
The InChIKey is RVKMKRMWBALNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c30-21-15-13-20(14-16-21)19-27-17-7-1-2-8-18-28-26-22-9-3-5-11-24(22)29-25-12-6-4-10-23(25)26/h3,5,9,11,13-16,27,30H,1-2,4,6-8,10,12,17-19H2,(H,28,29).
What are the key properties of 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol?
4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol has a molecular weight of 403.57 g/mol, XLogP of 5.58, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol is sourced from PubChem (CID 53304410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).