6-[(3-bromophenoxy)methyl]pyridin-2-amine

C12H11BrN2O — CID 79239271

IUPAC6-[(3-bromophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2cccc(Br)c2)n1
InChIInChI=1S/C12H11BrN2O/c13-9-3-1-5-11(7-9)16-8-10-4-2-6-12(14)15-10/h1-7H,8H2,(H2,14,15)
InChIKeyAFHZVDZQABUUDR-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.01
Rot. Bonds3

About 6-[(3-bromophenoxy)methyl]pyridin-2-amine

6-[(3-bromophenoxy)methyl]pyridin-2-amine (PubChem CID 79239271) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-[(3-bromophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(3-bromophenoxy)methyl]pyridin-2-amine
PubChem CID79239271
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name6-[(3-bromophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2cccc(Br)c2)n1
InChIInChI=1S/C12H11BrN2O/c13-9-3-1-5-11(7-9)16-8-10-4-2-6-12(14)15-10/h1-7H,8H2,(H2,14,15)
InChIKeyAFHZVDZQABUUDR-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(3-bromophenoxy)methyl]pyridin-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

Related Compounds

3-[(6-amino-2-pyridinyl)methoxy]phenol
CID 105469629
6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
CID 83234987
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine
CID 79238776
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 79238777
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(3-bromophenoxy)methyl]pyridin-2-amine (CID 79239271) is 6-[(3-bromophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(3-bromophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(3-bromophenoxy)methyl]pyridin-2-amine is Nc1cccc(COc2cccc(Br)c2)n1.
What is the InChIKey of 6-[(3-bromophenoxy)methyl]pyridin-2-amine?
The InChIKey is AFHZVDZQABUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-9-3-1-5-11(7-9)16-8-10-4-2-6-12(14)15-10/h1-7H,8H2,(H2,14,15).
What are the key properties of 6-[(3-bromophenoxy)methyl]pyridin-2-amine?
6-[(3-bromophenoxy)methyl]pyridin-2-amine has a molecular weight of 279.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79239271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).