N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine

C14H23BrN2O — CID 113371355

IUPACN-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine
SMILESCCOc1cccnc1N(CCBr)C(CC)CC
InChIInChI=1S/C14H23BrN2O/c1-4-12(5-2)17(11-9-15)14-13(18-6-3)8-7-10-16-14/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyBTPIQDBRYRONQI-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.87
Rot. Bonds8

About N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine

N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine (PubChem CID 113371355) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine
PubChem CID113371355
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC NameN-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine
SMILESCCOc1cccnc1N(CCBr)C(CC)CC
InChIInChI=1S/C14H23BrN2O/c1-4-12(5-2)17(11-9-15)14-13(18-6-3)8-7-10-16-14/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyBTPIQDBRYRONQI-UHFFFAOYSA-N
XLogP3.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.87
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

N-(2-bromoethyl)-N-pentan-3-ylpyrimidin-2-amine
CID 80680520
1-[2-bromoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106542952
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 80670684
N-(2-bromoethyl)-N-pentan-3-ylphthalazin-1-amine
CID 80679841
3-ethoxy-2-fluoropyridine
CID 11355527
N-(2-bromoethyl)-6-methoxy-5-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80680182
3-[2-bromoethyl(pentan-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80679831
1-(3-bromo-2,2-dimethylpropoxy)-2-ethoxybenzene
CID 64995079
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
CID 102871649
sodium 2-ethoxyphenolate
CID 23671657

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine (CID 113371355) is N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine is CCOc1cccnc1N(CCBr)C(CC)CC.
What is the InChIKey of N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine?
The InChIKey is BTPIQDBRYRONQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-12(5-2)17(11-9-15)14-13(18-6-3)8-7-10-16-14/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine?
N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine has a molecular weight of 315.25 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 113371355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).