6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine

C10H13BrN2 — CID 159832251

IUPAC6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCc1cc(Br)cc2c1NCC(N)C2
InChIInChI=1S/C10H13BrN2/c1-6-2-8(11)3-7-4-9(12)5-13-10(6)7/h2-3,9,13H,4-5,12H2,1H3
InChIKeyNNPJWEKRZPZJME-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.05
Rot. Bonds

About 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine

6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 159832251) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID159832251
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCc1cc(Br)cc2c1NCC(N)C2
InChIInChI=1S/C10H13BrN2/c1-6-2-8(11)3-7-4-9(12)5-13-10(6)7/h2-3,9,13H,4-5,12H2,1H3
InChIKeyNNPJWEKRZPZJME-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine (CID 159832251) is 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine is Cc1cc(Br)cc2c1NCC(N)C2.
What is the InChIKey of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is NNPJWEKRZPZJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-6-2-8(11)3-7-4-9(12)5-13-10(6)7/h2-3,9,13H,4-5,12H2,1H3.
What are the key properties of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 241.13 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 159832251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).