5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C10H15BrN2O — CID 107081177

IUPAC5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CBr)cn1
InChIInChI=1S/C10H15BrN2O/c1-13(5-6-14-2)10-4-3-9(7-11)8-12-10/h3-4,8H,5-7H2,1-2H3
InChIKeySOFQTKAHVISISP-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.06
Rot. Bonds5

About 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 107081177) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID107081177
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CBr)cn1
InChIInChI=1S/C10H15BrN2O/c1-13(5-6-14-2)10-4-3-9(7-11)8-12-10/h3-4,8H,5-7H2,1-2H3
InChIKeySOFQTKAHVISISP-UHFFFAOYSA-N
XLogP2.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine
CID 107079248
5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008775
N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836577
5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 107080438
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62289550
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 81056741
5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120843047
(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
CID 129434601
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 107081177) is 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine is COCCN(C)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is SOFQTKAHVISISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-13(5-6-14-2)10-4-3-9(7-11)8-12-10/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 259.15 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 107081177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).