N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine

C11H17BrN2O — CID 114869808

IUPACN-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine
SMILESCc1cc(OCCNC(C)C)ncc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(2)13-4-5-15-11-6-9(3)10(12)7-14-11/h6-8,13H,4-5H2,1-3H3
InChIKeyDACIAZIBEWLFLY-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.53
Rot. Bonds5

About N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine

N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine (PubChem CID 114869808) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine
PubChem CID114869808
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC NameN-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine
SMILESCc1cc(OCCNC(C)C)ncc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(2)13-4-5-15-11-6-9(3)10(12)7-14-11/h6-8,13H,4-5H2,1-3H3
InChIKeyDACIAZIBEWLFLY-UHFFFAOYSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine (CID 114869808) is N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine is Cc1cc(OCCNC(C)C)ncc1Br.
What is the InChIKey of N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine?
The InChIKey is DACIAZIBEWLFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)13-4-5-15-11-6-9(3)10(12)7-14-11/h6-8,13H,4-5H2,1-3H3.
What are the key properties of N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine?
N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine has a molecular weight of 273.17 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine is sourced from PubChem (CID 114869808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).