(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine

C14H14FN3O3 — CID 103937946

IUPAC(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14FN3O3/c1-2-11(16)12-5-4-10(8-17-12)21-14-6-3-9(15)7-13(14)18(19)20/h3-8,11H,2,16H2,1H3/t11-/m1/s1
InChIKeyHVZCPIOKMWTEPZ-LLVKDONJSA-N
MW291.28 g/mol
LogP3.33
Rot. Bonds5

About (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine

(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 103937946) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
PubChem CID103937946
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14FN3O3/c1-2-11(16)12-5-4-10(8-17-12)21-14-6-3-9(15)7-13(14)18(19)20/h3-8,11H,2,16H2,1H3/t11-/m1/s1
InChIKeyHVZCPIOKMWTEPZ-LLVKDONJSA-N
XLogP3.33
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.33
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-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103938047
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
(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-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 131159061
(1S)-1-[5-(3-bromo-5-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938029

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine (CID 103937946) is (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cn1.
What is the InChIKey of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is HVZCPIOKMWTEPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-2-11(16)12-5-4-10(8-17-12)21-14-6-3-9(15)7-13(14)18(19)20/h3-8,11H,2,16H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 291.28 g/mol, XLogP of 3.33, 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-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).