N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine

C14H16Br2N2O — CID 55093115

IUPACN-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
SMILESCC(C)NCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C14H16Br2N2O/c1-9(2)17-6-7-19-14-12(16)8-11(15)10-4-3-5-18-13(10)14/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyWGYOCFYZHMDQLA-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine

N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine (PubChem CID 55093115) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
PubChem CID55093115
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC NameN-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
SMILESCC(C)NCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C14H16Br2N2O/c1-9(2)17-6-7-19-14-12(16)8-11(15)10-4-3-5-18-13(10)14/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyWGYOCFYZHMDQLA-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
CID 63516068
5,7-dibromo-8-methoxyquinoline
CID 10805403
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
CID 21069694
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
CID 112618757
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine?
The IUPAC name of N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine (CID 55093115) is N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine is CC(C)NCCOc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine?
The InChIKey is WGYOCFYZHMDQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-9(2)17-6-7-19-14-12(16)8-11(15)10-4-3-5-18-13(10)14/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine?
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine has a molecular weight of 388.10 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine is sourced from PubChem (CID 55093115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).