6-chloro-2-(4-propylphenoxy)pyridin-3-amine

C14H15ClN2O — CID 115474531

IUPAC6-chloro-2-(4-propylphenoxy)pyridin-3-amine
SMILESCCCc1ccc(Oc2nc(Cl)ccc2N)cc1
InChIInChI=1S/C14H15ClN2O/c1-2-3-10-4-6-11(7-5-10)18-14-12(16)8-9-13(15)17-14/h4-9H,2-3,16H2,1H3
InChIKeyJTUMXQYDLNVNGB-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.06
Rot. Bonds4

About 6-chloro-2-(4-propylphenoxy)pyridin-3-amine

6-chloro-2-(4-propylphenoxy)pyridin-3-amine (PubChem CID 115474531) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-2-(4-propylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(4-propylphenoxy)pyridin-3-amine
PubChem CID115474531
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name6-chloro-2-(4-propylphenoxy)pyridin-3-amine
SMILESCCCc1ccc(Oc2nc(Cl)ccc2N)cc1
InChIInChI=1S/C14H15ClN2O/c1-2-3-10-4-6-11(7-5-10)18-14-12(16)8-9-13(15)17-14/h4-9H,2-3,16H2,1H3
InChIKeyJTUMXQYDLNVNGB-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
5-methyl-2-(4-propylphenoxy)pyridin-3-amine
CID 66281105
6-chloro-2-heptoxypyridin-3-amine
CID 115474479
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332428
5-bromo-6-(4-propylphenoxy)pyridin-3-amine
CID 79534763
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-propylphenoxy)pyridin-3-amine?
The IUPAC name of 6-chloro-2-(4-propylphenoxy)pyridin-3-amine (CID 115474531) is 6-chloro-2-(4-propylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(4-propylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(4-propylphenoxy)pyridin-3-amine is CCCc1ccc(Oc2nc(Cl)ccc2N)cc1.
What is the InChIKey of 6-chloro-2-(4-propylphenoxy)pyridin-3-amine?
The InChIKey is JTUMXQYDLNVNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-3-10-4-6-11(7-5-10)18-14-12(16)8-9-13(15)17-14/h4-9H,2-3,16H2,1H3.
What are the key properties of 6-chloro-2-(4-propylphenoxy)pyridin-3-amine?
6-chloro-2-(4-propylphenoxy)pyridin-3-amine has a molecular weight of 262.74 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-propylphenoxy)pyridin-3-amine is sourced from PubChem (CID 115474531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).