1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine

C14H15N3O3 — CID 115940057

IUPAC1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C14H15N3O3/c1-2-13(15)14-8-7-12(9-16-14)20-11-5-3-10(4-6-11)17(18)19/h3-9,13H,2,15H2,1H3
InChIKeyVBYSPAHSVSAWMO-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.19
Rot. Bonds5

About 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine

1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 115940057) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
PubChem CID115940057
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C14H15N3O3/c1-2-13(15)14-8-7-12(9-16-14)20-11-5-3-10(4-6-11)17(18)19/h3-9,13H,2,15H2,1H3
InChIKeyVBYSPAHSVSAWMO-UHFFFAOYSA-N
XLogP3.19
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.19
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

1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103938047
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103937946
1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
CID 115940032
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271501
1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
CID 115995641
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103588918

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine (CID 115940057) is 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is VBYSPAHSVSAWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-13(15)14-8-7-12(9-16-14)20-11-5-3-10(4-6-11)17(18)19/h3-9,13H,2,15H2,1H3.
What are the key properties of 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine?
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 273.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115940057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).