5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine

C13H21BrN2O — CID 107084894

IUPAC5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(CBr)cc1C)C(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(2)16(5-6-17-4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3
InChIKeyBRUFWKXAOAOYPS-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.15
Rot. Bonds6

About 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine

5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 107084894) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID107084894
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(CBr)cc1C)C(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(2)16(5-6-17-4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3
InChIKeyBRUFWKXAOAOYPS-UHFFFAOYSA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine (CID 107084894) is 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine is COCCN(c1ncc(CBr)cc1C)C(C)C.
What is the InChIKey of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is BRUFWKXAOAOYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(2)16(5-6-17-4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 301.23 g/mol, XLogP of 3.15, 6 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)-3-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 107084894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).