(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine

C15H15FN2O3 — CID 103959346

IUPAC(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C15H15FN2O3/c1-2-13(17)11-5-3-4-6-14(11)21-15-8-7-10(18(19)20)9-12(15)16/h3-9,13H,2,17H2,1H3/t13-/m0/s1
InChIKeyUVKHWCIGPRFLBE-ZDUSSCGKSA-N
MW290.29 g/mol
LogP3.94
Rot. Bonds5

About (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine

(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine (PubChem CID 103959346) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine
PubChem CID103959346
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C15H15FN2O3/c1-2-13(17)11-5-3-4-6-14(11)21-15-8-7-10(18(19)20)9-12(15)16/h3-9,13H,2,17H2,1H3/t13-/m0/s1
InChIKeyUVKHWCIGPRFLBE-ZDUSSCGKSA-N
XLogP3.94
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[2-(2-chloro-5-nitrophenoxy)phenyl]propan-1-amine
CID 115995697
1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
CID 115995641
(1S)-1-[2-(2-nitrophenoxy)phenyl]propan-1-amine
CID 103739059
4-[2-(1-aminopropyl)phenoxy]-3-fluorobenzonitrile
CID 107665508
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
(1S)-1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-amine
CID 103959372
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
1-[2-(3-methyl-2-nitrophenoxy)phenyl]propan-1-amine
CID 115995653
(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine (CID 103959346) is (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine?
The InChIKey is UVKHWCIGPRFLBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-13(17)11-5-3-4-6-14(11)21-15-8-7-10(18(19)20)9-12(15)16/h3-9,13H,2,17H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine?
(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine has a molecular weight of 290.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103959346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).