1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine

C14H15N3O3 — CID 83123552

IUPAC1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCc1cccc([N+](=O)[O-])c1Oc1ccc(C(C)N)nc1
InChIInChI=1S/C14H15N3O3/c1-9-4-3-5-13(17(18)19)14(9)20-11-6-7-12(10(2)15)16-8-11/h3-8,10H,15H2,1-2H3
InChIKeyHTEGQUNVMXVWHR-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.11
Rot. Bonds4

About 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine

1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83123552) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID83123552
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCc1cccc([N+](=O)[O-])c1Oc1ccc(C(C)N)nc1
InChIInChI=1S/C14H15N3O3/c1-9-4-3-5-13(17(18)19)14(9)20-11-6-7-12(10(2)15)16-8-11/h3-8,10H,15H2,1-2H3
InChIKeyHTEGQUNVMXVWHR-UHFFFAOYSA-N
XLogP3.11
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine (CID 83123552) is 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine is Cc1cccc([N+](=O)[O-])c1Oc1ccc(C(C)N)nc1.
What is the InChIKey of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is HTEGQUNVMXVWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-4-3-5-13(17(18)19)14(9)20-11-6-7-12(10(2)15)16-8-11/h3-8,10H,15H2,1-2H3.
What are the key properties of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine?
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 273.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).