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

C14H15N3O3 — CID 83124262

IUPAC(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C14H15N3O3/c1-9-3-4-11(17(18)19)7-14(9)20-12-5-6-13(10(2)15)16-8-12/h3-8,10H,15H2,1-2H3/t10-/m1/s1
InChIKeyUBFYVKNOVHSRCG-SNVBAGLBSA-N
MW273.29 g/mol
LogP3.11
Rot. Bonds4

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

(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83124262) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID83124262
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C14H15N3O3/c1-9-3-4-11(17(18)19)7-14(9)20-12-5-6-13(10(2)15)16-8-12/h3-8,10H,15H2,1-2H3/t10-/m1/s1
InChIKeyUBFYVKNOVHSRCG-SNVBAGLBSA-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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Related Compounds

(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110470
(1S)-1-[4-(2-methyl-5-nitrophenoxy)phenyl]ethanamine
CID 63370156
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 107500145
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83111430
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine (CID 83124262) is (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine is Cc1ccc([N+](=O)[O-])cc1Oc1ccc([C@@H](C)N)nc1.
What is the InChIKey of (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is UBFYVKNOVHSRCG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-3-4-11(17(18)19)7-14(9)20-12-5-6-13(10(2)15)16-8-12/h3-8,10H,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
(1R)-1-[5-(2-methyl-5-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 (1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83124262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).