3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine

C15H17BrN2O — CID 55075630

IUPAC3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-9-17-15-12(4-3-10-18-15)11-19-14-7-5-13(16)6-8-14/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyIZIIUKZDEXFFMO-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.24
Rot. Bonds6

About 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine

3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 55075630) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID55075630
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-9-17-15-12(4-3-10-18-15)11-19-14-7-5-13(16)6-8-14/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyIZIIUKZDEXFFMO-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine (CID 55075630) is 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1COc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is IZIIUKZDEXFFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-9-17-15-12(4-3-10-18-15)11-19-14-7-5-13(16)6-8-14/h3-8,10H,2,9,11H2,1H3,(H,17,18).
What are the key properties of 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine?
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 55075630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).