7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride

C13H14ClFN2 — CID 164614379

IUPAC7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3ccc(F)cc13)CCCC2
InChIInChI=1S/C13H13FN2.ClH/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;/h5-7H,1-4H2,(H2,15,16);1H
InChIKeyQBCQWDJADJKQSX-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.26
Rot. Bonds

About 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride

7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (PubChem CID 164614379) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.

Molecular Properties

Compound Name7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
PubChem CID164614379
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3ccc(F)cc13)CCCC2
InChIInChI=1S/C13H13FN2.ClH/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;/h5-7H,1-4H2,(H2,15,16);1H
InChIKeyQBCQWDJADJKQSX-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tacrine
CID 1935
Proflavine
CID 7099
Acridine
CID 9215
Acridine Orange Base
CID 62344
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
3,6-Diamino-10-methylacridinium Chloride
CID 6842
9-Aminoacridine hydrochloride
CID 8643
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
4-Amino-2-methylquinoline
CID 81116

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The IUPAC name of 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (CID 164614379) is 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.
What is the SMILES notation for 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The canonical SMILES for 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is Cl.Nc1c2c(nc3ccc(F)cc13)CCCC2.
What is the InChIKey of 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The InChIKey is QBCQWDJADJKQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2.ClH/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;/h5-7H,1-4H2,(H2,15,16);1H.
What are the key properties of 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride has a molecular weight of 252.72 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is sourced from PubChem (CID 164614379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).