6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine

C14H14BrFN2O — CID 81325494

IUPAC6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H14BrFN2O/c1-2-6-17-13-4-3-5-14(18-13)19-12-8-10(15)7-11(16)9-12/h3-5,7-9H,2,6H2,1H3,(H,17,18)
InChIKeySKZKQEKOMHNKFK-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.60
Rot. Bonds5

About 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine

6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine (PubChem CID 81325494) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
PubChem CID81325494
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H14BrFN2O/c1-2-6-17-13-4-3-5-14(18-13)19-12-8-10(15)7-11(16)9-12/h3-5,7-9H,2,6H2,1H3,(H,17,18)
InChIKeySKZKQEKOMHNKFK-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

N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 81326466
6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
CID 80881519
2-(3-bromo-5-fluorophenoxy)-6-methoxypyridine
CID 81331550
6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine
CID 80875365
6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 80866499
6-(2-chloro-4-fluorophenoxy)-N-propylpyridin-2-amine
CID 80867556
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081
6-[(2-methylpropan-2-yl)oxy]-N-propylpyridin-2-amine
CID 80861017
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine?
The IUPAC name of 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine (CID 81325494) is 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine is CCCNc1cccc(Oc2cc(F)cc(Br)c2)n1.
What is the InChIKey of 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine?
The InChIKey is SKZKQEKOMHNKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-6-17-13-4-3-5-14(18-13)19-12-8-10(15)7-11(16)9-12/h3-5,7-9H,2,6H2,1H3,(H,17,18).
What are the key properties of 6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine?
6-(3-bromo-5-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-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine is sourced from PubChem (CID 81325494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).