7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine

C16H17BrCl2N2 — CID 107793865

IUPAC7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCNc1c2c(nc3c(Cl)c(Cl)c(Br)cc13)CCCC2
InChIInChI=1S/C16H17BrCl2N2/c1-2-7-20-15-9-5-3-4-6-12(9)21-16-10(15)8-11(17)13(18)14(16)19/h8H,2-7H2,1H3,(H,20,21)
InChIKeyBKPLIJSUCLWZFC-UHFFFAOYSA-N
MW388.14 g/mol
LogP6.00
Rot. Bonds3

About 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine

7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 107793865) has the molecular formula C16H17BrCl2N2 and a molecular weight of 388.14 g/mol. Its IUPAC name is 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID107793865
Molecular FormulaC16H17BrCl2N2
Molecular Weight388.14 g/mol
Exact Mass386.00
IUPAC Name7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCNc1c2c(nc3c(Cl)c(Cl)c(Br)cc13)CCCC2
InChIInChI=1S/C16H17BrCl2N2/c1-2-7-20-15-9-5-3-4-6-12(9)21-16-10(15)8-11(17)13(18)14(16)19/h8H,2-7H2,1H3,(H,20,21)
InChIKeyBKPLIJSUCLWZFC-UHFFFAOYSA-N
XLogP6.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.14
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 114002173
5,7-dibromo-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63483296
7-chloro-5-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480982
5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63481227
4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479762
6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine
CID 107793852
4-fluoro-2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480102
2-fluoro-4-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479739
2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 79761506
7-fluoro-5-methoxy-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63482755
5,8-dimethyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63479127
6-fluoro-7-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 103996222

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine (CID 107793865) is 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine is CCCNc1c2c(nc3c(Cl)c(Cl)c(Br)cc13)CCCC2.
What is the InChIKey of 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is BKPLIJSUCLWZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrCl2N2/c1-2-7-20-15-9-5-3-4-6-12(9)21-16-10(15)8-11(17)13(18)14(16)19/h8H,2-7H2,1H3,(H,20,21).
What are the key properties of 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine?
7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 388.14 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 107793865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).