5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine

C15H17N3O3 — CID 104536675

IUPAC5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-3-6-17-12-8-13(10-16-9-12)21-15-5-4-11(2)7-14(15)18(19)20/h4-5,7-10,17H,3,6H2,1-2H3
InChIKeyDRVMOAIXDSWTKE-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.91
Rot. Bonds6

About 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine

5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine (PubChem CID 104536675) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine
PubChem CID104536675
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-3-6-17-12-8-13(10-16-9-12)21-15-5-4-11(2)7-14(15)18(19)20/h4-5,7-10,17H,3,6H2,1-2H3
InChIKeyDRVMOAIXDSWTKE-UHFFFAOYSA-N
XLogP3.91
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 104536674
5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine
CID 104536170
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663
5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
CID 104536595
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
1-[4-(chloromethyl)phenoxy]-4-methyl-2-nitrobenzene
CID 61312029
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine?
The IUPAC name of 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine (CID 104536675) is 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine is CCCNc1cncc(Oc2ccc(C)cc2[N+](=O)[O-])c1.
What is the InChIKey of 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine?
The InChIKey is DRVMOAIXDSWTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-6-17-12-8-13(10-16-9-12)21-15-5-4-11(2)7-14(15)18(19)20/h4-5,7-10,17H,3,6H2,1-2H3.
What are the key properties of 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine?
5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine has a molecular weight of 287.32 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine is sourced from PubChem (CID 104536675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).