2-(2-bromoquinolin-3-yl)propan-1-amine

C12H13BrN2 — CID 116985284

IUPAC2-(2-bromoquinolin-3-yl)propan-1-amine
SMILESCC(CN)c1cc2ccccc2nc1Br
InChIInChI=1S/C12H13BrN2/c1-8(7-14)10-6-9-4-2-3-5-11(9)15-12(10)13/h2-6,8H,7,14H2,1H3
InChIKeyQHUGASMQJVDVJF-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.06
Rot. Bonds2

About 2-(2-bromoquinolin-3-yl)propan-1-amine

2-(2-bromoquinolin-3-yl)propan-1-amine (PubChem CID 116985284) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-(2-bromoquinolin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromoquinolin-3-yl)propan-1-amine
PubChem CID116985284
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name2-(2-bromoquinolin-3-yl)propan-1-amine
SMILESCC(CN)c1cc2ccccc2nc1Br
InChIInChI=1S/C12H13BrN2/c1-8(7-14)10-6-9-4-2-3-5-11(9)15-12(10)13/h2-6,8H,7,14H2,1H3
InChIKeyQHUGASMQJVDVJF-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-(1-bromoethyl)quinoline
CID 22745004
3-butan-2-ylquinolin-2-amine
CID 118184851
(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
CID 175477212
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-(1-aminopropan-2-yl)phenol
CID 3028046
2-bromo-3-(2-chloroethyl)quinoline
CID 116985321

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoquinolin-3-yl)propan-1-amine?
The IUPAC name of 2-(2-bromoquinolin-3-yl)propan-1-amine (CID 116985284) is 2-(2-bromoquinolin-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2-bromoquinolin-3-yl)propan-1-amine?
The canonical SMILES for 2-(2-bromoquinolin-3-yl)propan-1-amine is CC(CN)c1cc2ccccc2nc1Br.
What is the InChIKey of 2-(2-bromoquinolin-3-yl)propan-1-amine?
The InChIKey is QHUGASMQJVDVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-8(7-14)10-6-9-4-2-3-5-11(9)15-12(10)13/h2-6,8H,7,14H2,1H3.
What are the key properties of 2-(2-bromoquinolin-3-yl)propan-1-amine?
2-(2-bromoquinolin-3-yl)propan-1-amine has a molecular weight of 265.15 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoquinolin-3-yl)propan-1-amine is sourced from PubChem (CID 116985284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).