(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine

C14H15N3O4 — CID 103201762

IUPAC(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCOc1ccc(Oc2ccc([C@@H](C)N)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-9(15)12-5-3-11(8-16-12)21-10-4-6-14(20-2)13(7-10)17(18)19/h3-9H,15H2,1-2H3/t9-/m1/s1
InChIKeyNDIDYMQLYBWMEK-SECBINFHSA-N
MW289.29 g/mol
LogP2.81
Rot. Bonds5

About (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine

(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 103201762) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID103201762
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCOc1ccc(Oc2ccc([C@@H](C)N)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-9(15)12-5-3-11(8-16-12)21-10-4-6-14(20-2)13(7-10)17(18)19/h3-9H,15H2,1-2H3/t9-/m1/s1
InChIKeyNDIDYMQLYBWMEK-SECBINFHSA-N
XLogP2.81
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 107500145
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine (CID 103201762) is (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine is COc1ccc(Oc2ccc([C@@H](C)N)nc2)cc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is NDIDYMQLYBWMEK-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(15)12-5-3-11(8-16-12)21-10-4-6-14(20-2)13(7-10)17(18)19/h3-9H,15H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine?
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 289.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 103201762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).