6-bromo-1,2,3,4-tetrahydroquinolin-7-amine

C9H11BrN2 — CID 82391421

IUPAC6-bromo-1,2,3,4-tetrahydroquinolin-7-amine
SMILESNc1cc2c(cc1Br)CCCN2
InChIInChI=1S/C9H11BrN2/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3,11H2
InChIKeyOVVRFWAGGIIWPJ-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.39
Rot. Bonds

About 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine

6-bromo-1,2,3,4-tetrahydroquinolin-7-amine (PubChem CID 82391421) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydroquinolin-7-amine
PubChem CID82391421
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name6-bromo-1,2,3,4-tetrahydroquinolin-7-amine
SMILESNc1cc2c(cc1Br)CCCN2
InChIInChI=1S/C9H11BrN2/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3,11H2
InChIKeyOVVRFWAGGIIWPJ-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 71757147
5,6-dibromo-2,3-dihydro-1H-indole
CID 82626452
1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine
CID 71228811
1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one
CID 67909917
2,3,4,5-tetrahydro-1H-1-benzazepin-8-amine
CID 18444221
6-bromo-2,3-dihydro-1H-isoindol-5-amine
CID 54593310
6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine
CID 157097766
5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 72710379
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
2,3,4,5-tetrahydro-1H-1-benzazepine-7,8-diol
CID 90841519
3,4,6,7,8,9-hexahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 2749367
6-fluoro-2,3-dihydro-1H-indol-5-amine
CID 82417148

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine (CID 82391421) is 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine is Nc1cc2c(cc1Br)CCCN2.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine?
The InChIKey is OVVRFWAGGIIWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3,11H2.
What are the key properties of 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine?
6-bromo-1,2,3,4-tetrahydroquinolin-7-amine has a molecular weight of 227.10 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4-tetrahydroquinolin-7-amine is sourced from PubChem (CID 82391421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).