7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine

C14H13BrF2N2 — CID 107616780

IUPAC7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3c(F)cc(Br)c(F)c13)CCCC2
InChIInChI=1S/C14H13BrF2N2/c1-18-13-7-4-2-3-5-10(7)19-14-9(16)6-8(15)12(17)11(13)14/h6H,2-5H2,1H3,(H,18,19)
InChIKeyWNYLAFMBQUMQQN-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.20
Rot. Bonds1

About 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine

7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 107616780) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID107616780
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3c(F)cc(Br)c(F)c13)CCCC2
InChIInChI=1S/C14H13BrF2N2/c1-18-13-7-4-2-3-5-10(7)19-14-9(16)6-8(15)12(17)11(13)14/h6H,2-5H2,1H3,(H,18,19)
InChIKeyWNYLAFMBQUMQQN-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-difluoro-N,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 103587355
5,7-difluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 55045655
4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479943
(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62250572
1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351534
(5,6,8-trifluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62812081
7-bromo-N,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202889
(6-bromo-5,8-difluoro-2,3-dimethylquinolin-4-yl)hydrazine
CID 107616905
(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62251323
4-fluoro-2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480102
5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 114260954
7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63479643

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (CID 107616780) is 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is CNc1c2c(nc3c(F)cc(Br)c(F)c13)CCCC2.
What is the InChIKey of 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is WNYLAFMBQUMQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-18-13-7-4-2-3-5-10(7)19-14-9(16)6-8(15)12(17)11(13)14/h6H,2-5H2,1H3,(H,18,19).
What are the key properties of 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 327.17 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 107616780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).