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

C17H19BrN2 — CID 79078755

IUPACN-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1cc(Br)cc(C)c1NC1CCCc2cccnc21
InChIInChI=1S/C17H19BrN2/c1-11-9-14(18)10-12(2)16(11)20-15-7-3-5-13-6-4-8-19-17(13)15/h4,6,8-10,15,20H,3,5,7H2,1-2H3
InChIKeyAWRQXIGRQKSXHZ-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.95
Rot. Bonds2

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

N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79078755) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79078755
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1cc(Br)cc(C)c1NC1CCCc2cccnc21
InChIInChI=1S/C17H19BrN2/c1-11-9-14(18)10-12(2)16(11)20-15-7-3-5-13-6-4-8-19-17(13)15/h4,6,8-10,15,20H,3,5,7H2,1-2H3
InChIKeyAWRQXIGRQKSXHZ-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839
N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079954
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79078755) is N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine is Cc1cc(Br)cc(C)c1NC1CCCc2cccnc21.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is AWRQXIGRQKSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-11-9-14(18)10-12(2)16(11)20-15-7-3-5-13-6-4-8-19-17(13)15/h4,6,8-10,15,20H,3,5,7H2,1-2H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 331.26 g/mol, XLogP of 4.95, 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-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79078755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).