3-(3-fluorophenoxy)-5-nitro-N-propylaniline

C15H15FN2O3 — CID 80865059

IUPAC3-(3-fluorophenoxy)-5-nitro-N-propylaniline
SMILESCCCNc1cc(Oc2cccc(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-2-6-17-12-8-13(18(19)20)10-15(9-12)21-14-5-3-4-11(16)7-14/h3-5,7-10,17H,2,6H2,1H3
InChIKeyHKUKCAALXCYTIN-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.35
Rot. Bonds6

About 3-(3-fluorophenoxy)-5-nitro-N-propylaniline

3-(3-fluorophenoxy)-5-nitro-N-propylaniline (PubChem CID 80865059) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-5-nitro-N-propylaniline.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-5-nitro-N-propylaniline
PubChem CID80865059
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-(3-fluorophenoxy)-5-nitro-N-propylaniline
SMILESCCCNc1cc(Oc2cccc(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-2-6-17-12-8-13(18(19)20)10-15(9-12)21-14-5-3-4-11(16)7-14/h3-5,7-10,17H,2,6H2,1H3
InChIKeyHKUKCAALXCYTIN-UHFFFAOYSA-N
XLogP4.35
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.35
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

3-(3,5-difluorophenoxy)-N-ethyl-5-nitroaniline
CID 80880134
3-(2-chlorophenoxy)-5-nitro-N-propylaniline
CID 80867354
3-(3-bromo-5-fluorophenoxy)-N-ethyl-5-nitroaniline
CID 81314543
3-[3-(ethylamino)-5-nitrophenoxy]benzonitrile
CID 80865968
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
2-[3-nitro-5-(propylamino)phenoxy]ethanol
CID 80860789
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
1-fluoro-3-[3-(methoxymethyl)phenoxy]-5-nitrobenzene
CID 80752391
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
CID 80872239
3-[3-(dimethylamino)propoxy]-5-nitro-N-propylaniline
CID 80871824
3-but-3-enoxy-5-nitro-N-propylaniline
CID 80860870

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-5-nitro-N-propylaniline?
The IUPAC name of 3-(3-fluorophenoxy)-5-nitro-N-propylaniline (CID 80865059) is 3-(3-fluorophenoxy)-5-nitro-N-propylaniline.
What is the SMILES notation for 3-(3-fluorophenoxy)-5-nitro-N-propylaniline?
The canonical SMILES for 3-(3-fluorophenoxy)-5-nitro-N-propylaniline is CCCNc1cc(Oc2cccc(F)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-fluorophenoxy)-5-nitro-N-propylaniline?
The InChIKey is HKUKCAALXCYTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-6-17-12-8-13(18(19)20)10-15(9-12)21-14-5-3-4-11(16)7-14/h3-5,7-10,17H,2,6H2,1H3.
What are the key properties of 3-(3-fluorophenoxy)-5-nitro-N-propylaniline?
3-(3-fluorophenoxy)-5-nitro-N-propylaniline has a molecular weight of 290.29 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-5-nitro-N-propylaniline is sourced from PubChem (CID 80865059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).