8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine

C11H15BrN2 — CID 131213970

IUPAC8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCNC1CCNc2c(Br)ccc(C)c21
InChIInChI=1S/C11H15BrN2/c1-7-3-4-8(12)11-10(7)9(13-2)5-6-14-11/h3-4,9,13-14H,5-6H2,1-2H3
InChIKeyAGPYDHJQAMPYPU-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.83
Rot. Bonds1

About 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine

8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 131213970) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID131213970
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCNC1CCNc2c(Br)ccc(C)c21
InChIInChI=1S/C11H15BrN2/c1-7-3-4-8(12)11-10(7)9(13-2)5-6-14-11/h3-4,9,13-14H,5-6H2,1-2H3
InChIKeyAGPYDHJQAMPYPU-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
CID 126978984
8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130934873
8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 82008492
9-chloro-N,6-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512693
N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539056
8-fluoro-5-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 131213972
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
7-bromo-N,4,5,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417695
2-bromo-4-cyclopropyl-1-methylbenzene
CID 66521055
2-bromo-6-methyl-4-piperidin-4-ylphenol
CID 84712705
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 131213970) is 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine is CNC1CCNc2c(Br)ccc(C)c21.
What is the InChIKey of 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is AGPYDHJQAMPYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-7-3-4-8(12)11-10(7)9(13-2)5-6-14-11/h3-4,9,13-14H,5-6H2,1-2H3.
What are the key properties of 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine?
8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 255.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 131213970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).