4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol

C20H28N2O2 — CID 166382730

IUPAC4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
SMILESCOc1ccc2nc3c(c(NCCC(C)(C)CO)c2c1)CCCC3
InChIInChI=1S/C20H28N2O2/c1-20(2,13-23)10-11-21-19-15-6-4-5-7-17(15)22-18-9-8-14(24-3)12-16(18)19/h8-9,12,23H,4-7,10-11,13H2,1-3H3,(H,21,22)
InChIKeyGXLZDGHGHKTYTJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.94
Rot. Bonds6

About 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol

4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol (PubChem CID 166382730) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
PubChem CID166382730
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
SMILESCOc1ccc2nc3c(c(NCCC(C)(C)CO)c2c1)CCCC3
InChIInChI=1S/C20H28N2O2/c1-20(2,13-23)10-11-21-19-15-6-4-5-7-17(15)22-18-9-8-14(24-3)12-16(18)19/h8-9,12,23H,4-7,10-11,13H2,1-3H3,(H,21,22)
InChIKeyGXLZDGHGHKTYTJ-UHFFFAOYSA-N
XLogP3.94
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol?
The IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol (CID 166382730) is 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol?
The canonical SMILES for 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol is COc1ccc2nc3c(c(NCCC(C)(C)CO)c2c1)CCCC3.
What is the InChIKey of 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol?
The InChIKey is GXLZDGHGHKTYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,13-23)10-11-21-19-15-6-4-5-7-17(15)22-18-9-8-14(24-3)12-16(18)19/h8-9,12,23H,4-7,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol?
4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 166382730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).