N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine

C15H13BrCl2N2 — CID 79079828

IUPACN-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESClc1cc(Br)cc(Cl)c1NC1CCCc2cccnc21
InChIInChI=1S/C15H13BrCl2N2/c16-10-7-11(17)15(12(18)8-10)20-13-5-1-3-9-4-2-6-19-14(9)13/h2,4,6-8,13,20H,1,3,5H2
InChIKeyJOWNYRBYXCUVOY-UHFFFAOYSA-N
MW372.09 g/mol
LogP5.64
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079828) has the molecular formula C15H13BrCl2N2 and a molecular weight of 372.09 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079828
Molecular FormulaC15H13BrCl2N2
Molecular Weight372.09 g/mol
Exact Mass369.96
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESClc1cc(Br)cc(Cl)c1NC1CCCc2cccnc21
InChIInChI=1S/C15H13BrCl2N2/c16-10-7-11(17)15(12(18)8-10)20-13-5-1-3-9-4-2-6-19-14(9)13/h2,4,6-8,13,20H,1,3,5H2
InChIKeyJOWNYRBYXCUVOY-UHFFFAOYSA-N
XLogP5.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.09
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078755
2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079725
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552
N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772831
N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine
CID 129368297
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079828) is N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine is Clc1cc(Br)cc(Cl)c1NC1CCCc2cccnc21.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JOWNYRBYXCUVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2/c16-10-7-11(17)15(12(18)8-10)20-13-5-1-3-9-4-2-6-19-14(9)13/h2,4,6-8,13,20H,1,3,5H2.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 372.09 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).