N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine

C10H14BrClN2O — CID 104811165

IUPACN-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine
SMILESClCCOCCNCc1cncc(Br)c1
InChIInChI=1S/C10H14BrClN2O/c11-10-5-9(7-14-8-10)6-13-2-4-15-3-1-12/h5,7-8,13H,1-4,6H2
InChIKeyRPPQZMMUKKCYMN-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.19
Rot. Bonds7

About N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine

N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine (PubChem CID 104811165) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine
PubChem CID104811165
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine
SMILESClCCOCCNCc1cncc(Br)c1
InChIInChI=1S/C10H14BrClN2O/c11-10-5-9(7-14-8-10)6-13-2-4-15-3-1-12/h5,7-8,13H,1-4,6H2
InChIKeyRPPQZMMUKKCYMN-UHFFFAOYSA-N
XLogP2.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 115778146
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
N-[(5-bromo-3-pyridinyl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106140672
N-[(5-bromo-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 104796774
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231
N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
CID 113454132
1-(5-bromo-3-pyridinyl)-N-iodomethanamine
CID 91903017
N-[3-[(5-bromo-3-pyridinyl)methylamino]propyl]methanesulfonamide
CID 104856887
N-[(5-bromo-3-pyridinyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 104856993

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine (CID 104811165) is N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine is ClCCOCCNCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine?
The InChIKey is RPPQZMMUKKCYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O/c11-10-5-9(7-14-8-10)6-13-2-4-15-3-1-12/h5,7-8,13H,1-4,6H2.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine?
N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine has a molecular weight of 293.59 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-2-(2-chloroethoxy)ethanamine is sourced from PubChem (CID 104811165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).