3-bromo-N,N-diethyl-4-methylpyridin-2-amine

C10H15BrN2 — CID 106876527

IUPAC3-bromo-N,N-diethyl-4-methylpyridin-2-amine
SMILESCCN(CC)c1nccc(C)c1Br
InChIInChI=1S/C10H15BrN2/c1-4-13(5-2)10-9(11)8(3)6-7-12-10/h6-7H,4-5H2,1-3H3
InChIKeyIIHSQUSGPLNYKJ-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.00
Rot. Bonds3

About 3-bromo-N,N-diethyl-4-methylpyridin-2-amine

3-bromo-N,N-diethyl-4-methylpyridin-2-amine (PubChem CID 106876527) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-bromo-N,N-diethyl-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,N-diethyl-4-methylpyridin-2-amine
PubChem CID106876527
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-bromo-N,N-diethyl-4-methylpyridin-2-amine
SMILESCCN(CC)c1nccc(C)c1Br
InChIInChI=1S/C10H15BrN2/c1-4-13(5-2)10-9(11)8(3)6-7-12-10/h6-7H,4-5H2,1-3H3
InChIKeyIIHSQUSGPLNYKJ-UHFFFAOYSA-N
XLogP3.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N,N-diethyl-4-methylpyridin-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 3-bromo-N,N-diethyl-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N,N-diethyl-4-methylpyridin-2-amine (CID 106876527) is 3-bromo-N,N-diethyl-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N,N-diethyl-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N,N-diethyl-4-methylpyridin-2-amine is CCN(CC)c1nccc(C)c1Br.
What is the InChIKey of 3-bromo-N,N-diethyl-4-methylpyridin-2-amine?
The InChIKey is IIHSQUSGPLNYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-4-13(5-2)10-9(11)8(3)6-7-12-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-bromo-N,N-diethyl-4-methylpyridin-2-amine?
3-bromo-N,N-diethyl-4-methylpyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-diethyl-4-methylpyridin-2-amine is sourced from PubChem (CID 106876527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).