5-bromo-3-(1-phenylpropoxy)pyridin-2-amine

C14H15BrN2O — CID 164859806

IUPAC5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
SMILESCCC(Oc1cc(Br)cnc1N)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c1-2-12(10-6-4-3-5-7-10)18-13-8-11(15)9-17-14(13)16/h3-9,12H,2H2,1H3,(H2,16,17)
InChIKeyVFXQVSNMYBRCNZ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.96
Rot. Bonds4

About 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine

5-bromo-3-(1-phenylpropoxy)pyridin-2-amine (PubChem CID 164859806) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
PubChem CID164859806
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
SMILESCCC(Oc1cc(Br)cnc1N)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c1-2-12(10-6-4-3-5-7-10)18-13-8-11(15)9-17-14(13)16/h3-9,12H,2H2,1H3,(H2,16,17)
InChIKeyVFXQVSNMYBRCNZ-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine (CID 164859806) is 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine is CCC(Oc1cc(Br)cnc1N)c1ccccc1.
What is the InChIKey of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
The InChIKey is VFXQVSNMYBRCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-12(10-6-4-3-5-7-10)18-13-8-11(15)9-17-14(13)16/h3-9,12H,2H2,1H3,(H2,16,17).
What are the key properties of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
5-bromo-3-(1-phenylpropoxy)pyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine is sourced from PubChem (CID 164859806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).