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

C9H10BrClN2 — CID 130935491

IUPAC6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2ccc(Br)c(Cl)c21
InChIInChI=1S/C9H10BrClN2/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6,13H,3-4,12H2
InChIKeyNXYDFKNHYDERGN-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.92
Rot. Bonds

About 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine

6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 130935491) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID130935491
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC Name6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2ccc(Br)c(Cl)c21
InChIInChI=1S/C9H10BrClN2/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6,13H,3-4,12H2
InChIKeyNXYDFKNHYDERGN-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

8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130934873
4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
CID 130934699
(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile
CID 131137733
5,6-dichloro-1,2,3,4-tetrahydroquinoline-4-thiol
CID 130820585
(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 83672603
(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
CID 131076803
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol
CID 118989908
7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 172737199
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
6-ethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275588
6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275604

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine (CID 130935491) is 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine is NC1CCNc2ccc(Br)c(Cl)c21.
What is the InChIKey of 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is NXYDFKNHYDERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6,13H,3-4,12H2.
What are the key properties of 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
6-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 6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 130935491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).