2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine

C13H15BrN2 — CID 84642495

IUPAC2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine
SMILESCc1cc2cccc(Br)c2nc1C(C)CN
InChIInChI=1S/C13H15BrN2/c1-8-6-10-4-3-5-11(14)13(10)16-12(8)9(2)7-15/h3-6,9H,7,15H2,1-2H3
InChIKeySMMLUJAXGRAQIT-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.37
Rot. Bonds2

About 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine

2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine (PubChem CID 84642495) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine
PubChem CID84642495
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine
SMILESCc1cc2cccc(Br)c2nc1C(C)CN
InChIInChI=1S/C13H15BrN2/c1-8-6-10-4-3-5-11(14)13(10)16-12(8)9(2)7-15/h3-6,9H,7,15H2,1-2H3
InChIKeySMMLUJAXGRAQIT-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-2,3-dimethylquinoline
CID 11402096
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
2-(5,8-dimethoxy-3-methylquinolin-2-yl)propan-1-amine
CID 84638168
2-(6-fluoro-3-methylquinolin-2-yl)propan-1-amine
CID 84622843
2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404152
8-bromo-3-tert-butylquinolin-2-amine
CID 63382033
2-(2-bromoquinolin-3-yl)propan-1-amine
CID 116985284
2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117452946
2-[2-[(2-bromophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 66144887
2-(3-methyl-8-propan-2-ylquinolin-2-yl)ethanamine
CID 82242686
2-(4,7,8-trimethylquinolin-2-yl)propan-1-amine
CID 84625533
2-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 114079045

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine?
The IUPAC name of 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine (CID 84642495) is 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine.
What is the SMILES notation for 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine?
The canonical SMILES for 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine is Cc1cc2cccc(Br)c2nc1C(C)CN.
What is the InChIKey of 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine?
The InChIKey is SMMLUJAXGRAQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-8-6-10-4-3-5-11(14)13(10)16-12(8)9(2)7-15/h3-6,9H,7,15H2,1-2H3.
What are the key properties of 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine?
2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine has a molecular weight of 279.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine is sourced from PubChem (CID 84642495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).