N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine

C15H17Br2ClN2O — CID 83171916

IUPACN-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOc1c(Br)cc(Br)c2ccc(Cl)nc12
InChIInChI=1S/C15H17Br2ClN2O/c1-15(2,3)19-6-7-21-14-11(17)8-10(16)9-4-5-12(18)20-13(9)14/h4-5,8,19H,6-7H2,1-3H3
InChIKeyGNCUSGMZNNBOOD-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.18
Rot. Bonds4

About N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine

N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine (PubChem CID 83171916) has the molecular formula C15H17Br2ClN2O and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine
PubChem CID83171916
Molecular FormulaC15H17Br2ClN2O
Molecular Weight436.58 g/mol
Exact Mass433.94
IUPAC NameN-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOc1c(Br)cc(Br)c2ccc(Cl)nc12
InChIInChI=1S/C15H17Br2ClN2O/c1-15(2,3)19-6-7-21-14-11(17)8-10(16)9-4-5-12(18)20-13(9)14/h4-5,8,19H,6-7H2,1-3H3
InChIKeyGNCUSGMZNNBOOD-UHFFFAOYSA-N
XLogP5.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine
CID 83223674
methyl 3-(5,7-dibromo-2-chloroquinolin-8-yl)oxypropanoate
CID 83224029
2-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]propan-2-amine
CID 63501413
4-(5,7-dibromo-2-chloroquinolin-8-yl)oxybutan-2-one
CID 83223673
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418
2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine
CID 63551677
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine
CID 62598982
N-[[3,5-dibromo-4-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743703
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine (CID 83171916) is N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine is CC(C)(C)NCCOc1c(Br)cc(Br)c2ccc(Cl)nc12.
What is the InChIKey of N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine?
The InChIKey is GNCUSGMZNNBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2ClN2O/c1-15(2,3)19-6-7-21-14-11(17)8-10(16)9-4-5-12(18)20-13(9)14/h4-5,8,19H,6-7H2,1-3H3.
What are the key properties of N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine?
N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine has a molecular weight of 436.58 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83171916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).