N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine

C10H14BrClN2O — CID 114838231

IUPACN-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOc1ncc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O/c1-7(2)13-3-4-15-10-9(11)5-8(12)6-14-10/h5-7,13H,3-4H2,1-2H3
InChIKeyVGXUUQUBLVWFFZ-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.87
Rot. Bonds5

About N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine

N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine (PubChem CID 114838231) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine
PubChem CID114838231
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC NameN-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOc1ncc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O/c1-7(2)13-3-4-15-10-9(11)5-8(12)6-14-10/h5-7,13H,3-4H2,1-2H3
InChIKeyVGXUUQUBLVWFFZ-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.87
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-bromo-5-chloro-2-(4-methylpentoxy)pyridine
CID 114837631
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 114837675
N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 114869808
3-bromo-5-chloro-2-pent-4-enoxypyridine
CID 114837799
3-bromo-5-chloro-2-(cyclopentylmethoxy)pyridine
CID 114837797
5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 107661011
3-bromo-5-chloro-2-(cyclopropylmethoxy)pyridine
CID 114837615
N-[2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 113420698
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900842
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711
propan-2-yl 3-bromo-5-chloropyridine-2-carboxylate
CID 133063626

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine (CID 114838231) is N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine is CC(C)NCCOc1ncc(Cl)cc1Br.
What is the InChIKey of N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine?
The InChIKey is VGXUUQUBLVWFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O/c1-7(2)13-3-4-15-10-9(11)5-8(12)6-14-10/h5-7,13H,3-4H2,1-2H3.
What are the key properties of N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine?
N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine has a molecular weight of 293.59 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine is sourced from PubChem (CID 114838231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).