(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine

C15H17N3O3 — CID 83111625

IUPAC(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCCc1ccc(Oc2ccc([C@@H](C)N)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-3-11-4-7-15(14(8-11)18(19)20)21-12-5-6-13(10(2)16)17-9-12/h4-10H,3,16H2,1-2H3/t10-/m1/s1
InChIKeyPQUZAERNWAIEQX-SNVBAGLBSA-N
MW287.32 g/mol
LogP3.36
Rot. Bonds5

About (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine

(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83111625) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID83111625
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCCc1ccc(Oc2ccc([C@@H](C)N)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-3-11-4-7-15(14(8-11)18(19)20)21-12-5-6-13(10(2)16)17-9-12/h4-10H,3,16H2,1-2H3/t10-/m1/s1
InChIKeyPQUZAERNWAIEQX-SNVBAGLBSA-N
XLogP3.36
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.36
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

(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 107500145
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103937946
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
1-(4-ethyl-2-nitrophenoxy)propan-2-amine
CID 102689380
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine (CID 83111625) is (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine is CCc1ccc(Oc2ccc([C@@H](C)N)nc2)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is PQUZAERNWAIEQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-11-4-7-15(14(8-11)18(19)20)21-12-5-6-13(10(2)16)17-9-12/h4-10H,3,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine?
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 287.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83111625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).