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

C20H20N2O — CID 155540791

IUPAC4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol
SMILESOc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)
InChIKeyLLBRADQTDMRJOG-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.43
Rot. Bonds3

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

4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol (PubChem CID 155540791) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol
PubChem CID155540791
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol
SMILESOc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)
InChIKeyLLBRADQTDMRJOG-UHFFFAOYSA-N
XLogP4.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol?
The IUPAC name of 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol (CID 155540791) is 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol?
The canonical SMILES for 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol is Oc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol?
The InChIKey is LLBRADQTDMRJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22).
What are the key properties of 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol?
4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenol is sourced from PubChem (CID 155540791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).