2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol

C16H13F3N2O — CID 12005119

IUPAC2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol
SMILESCc1c2ccccc2nc2c(F)c(NCCO)c(F)c(F)c12
InChIInChI=1S/C16H13F3N2O/c1-8-9-4-2-3-5-10(9)21-15-11(8)12(17)13(18)16(14(15)19)20-6-7-22/h2-5,20,22H,6-7H2,1H3
InChIKeyRQSNRKFSTICTSR-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.52
Rot. Bonds3

About 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol

2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol (PubChem CID 12005119) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol
PubChem CID12005119
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol
SMILESCc1c2ccccc2nc2c(F)c(NCCO)c(F)c(F)c12
InChIInChI=1S/C16H13F3N2O/c1-8-9-4-2-3-5-10(9)21-15-11(8)12(17)13(18)16(14(15)19)20-6-7-22/h2-5,20,22H,6-7H2,1H3
InChIKeyRQSNRKFSTICTSR-UHFFFAOYSA-N
XLogP3.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol?
The IUPAC name of 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol (CID 12005119) is 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol?
The canonical SMILES for 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol is Cc1c2ccccc2nc2c(F)c(NCCO)c(F)c(F)c12.
What is the InChIKey of 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol?
The InChIKey is RQSNRKFSTICTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-8-9-4-2-3-5-10(9)21-15-11(8)12(17)13(18)16(14(15)19)20-6-7-22/h2-5,20,22H,6-7H2,1H3.
What are the key properties of 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol?
2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol has a molecular weight of 306.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2,4-trifluoro-9-methylacridin-3-yl)amino]ethanol is sourced from PubChem (CID 12005119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).