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

C14H15N3O4 — CID 83109960

IUPAC(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ccc([C@H](C)N)nc1
InChIInChI=1S/C14H15N3O4/c1-9(15)12-5-4-11(8-16-12)21-13-6-3-10(17(18)19)7-14(13)20-2/h3-9H,15H2,1-2H3/t9-/m0/s1
InChIKeyZBVBWUDICQAIPD-VIFPVBQESA-N
MW289.29 g/mol
LogP2.81
Rot. Bonds5

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

(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83109960) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID83109960
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ccc([C@H](C)N)nc1
InChIInChI=1S/C14H15N3O4/c1-9(15)12-5-4-11(8-16-12)21-13-6-3-10(17(18)19)7-14(13)20-2/h3-9H,15H2,1-2H3/t9-/m0/s1
InChIKeyZBVBWUDICQAIPD-VIFPVBQESA-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]ethanol
CID 83109459
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 107500145
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110470
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83111430
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine (CID 83109960) is (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine is COc1cc([N+](=O)[O-])ccc1Oc1ccc([C@H](C)N)nc1.
What is the InChIKey of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is ZBVBWUDICQAIPD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(15)12-5-4-11(8-16-12)21-13-6-3-10(17(18)19)7-14(13)20-2/h3-9H,15H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(2-methoxy-4-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 (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83109960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).