6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine

C14H14BrFN2O — CID 80881519

IUPAC6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H14BrFN2O/c1-2-8-17-13-4-3-5-14(18-13)19-12-7-6-10(15)9-11(12)16/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyOEZXVNUEIZHBEF-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.60
Rot. Bonds5

About 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine

6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine (PubChem CID 80881519) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
PubChem CID80881519
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H14BrFN2O/c1-2-8-17-13-4-3-5-14(18-13)19-12-7-6-10(15)9-11(12)16/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyOEZXVNUEIZHBEF-UHFFFAOYSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
6-(2-chloro-4-fluorophenoxy)-N-propylpyridin-2-amine
CID 80867556
6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
CID 81325494
6-(2-methylsulfanylphenoxy)-N-propylpyridin-2-amine
CID 80880347
6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
CID 114677416
N-propyl-6-quinolin-8-yloxypyridin-2-amine
CID 80874687
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
6-(6-bromonaphthalen-2-yl)oxy-N-ethylpyridin-2-amine
CID 80865759
6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80881350

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine (CID 80881519) is 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine is CCCNc1cccc(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine?
The InChIKey is OEZXVNUEIZHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-8-17-13-4-3-5-14(18-13)19-12-7-6-10(15)9-11(12)16/h3-7,9H,2,8H2,1H3,(H,17,18).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine?
6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine has a molecular weight of 325.18 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine is sourced from PubChem (CID 80881519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).