8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine

C9H10BrClN2 — CID 130934873

IUPAC8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2c(Br)ccc(Cl)c21
InChIInChI=1S/C9H10BrClN2/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8/h1-2,7,13H,3-4,12H2
InChIKeyWHRZVISOAFWYEX-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.92
Rot. Bonds

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

8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 130934873) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID130934873
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC Name8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2c(Br)ccc(Cl)c21
InChIInChI=1S/C9H10BrClN2/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8/h1-2,7,13H,3-4,12H2
InChIKeyWHRZVISOAFWYEX-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130935491
5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
CID 126978984
(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
CID 131076803
8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 131213970
6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073293
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 131050920
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
2-[(2S)-azetidin-2-yl]-3-bromo-6-chlorophenol
CID 130912925
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
CID 55278137
(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114377361
8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 130598051

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine (CID 130934873) is 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine is NC1CCNc2c(Br)ccc(Cl)c21.
What is the InChIKey of 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is WHRZVISOAFWYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8/h1-2,7,13H,3-4,12H2.
What are the key properties of 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 261.55 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 130934873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).