3-(2-fluorophenoxy)-2-nitro-N-propylaniline

C15H15FN2O3 — CID 80866237

IUPAC3-(2-fluorophenoxy)-2-nitro-N-propylaniline
SMILESCCCNc1cccc(Oc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-2-10-17-12-7-5-9-14(15(12)18(19)20)21-13-8-4-3-6-11(13)16/h3-9,17H,2,10H2,1H3
InChIKeyCBDDOHQYUGDAMJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.35
Rot. Bonds6

About 3-(2-fluorophenoxy)-2-nitro-N-propylaniline

3-(2-fluorophenoxy)-2-nitro-N-propylaniline (PubChem CID 80866237) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-2-nitro-N-propylaniline.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-2-nitro-N-propylaniline
PubChem CID80866237
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-(2-fluorophenoxy)-2-nitro-N-propylaniline
SMILESCCCNc1cccc(Oc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-2-10-17-12-7-5-9-14(15(12)18(19)20)21-13-8-4-3-6-11(13)16/h3-9,17H,2,10H2,1H3
InChIKeyCBDDOHQYUGDAMJ-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

2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-nitro-N-propylaniline
CID 106598559
N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline
CID 107662799
3-(2-methylpropoxy)-2-nitro-N-propylaniline
CID 80859764
N-ethyl-3-(2-ethylphenoxy)-2-nitroaniline
CID 80875743
3-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-nitro-N-propylaniline
CID 81342536
3-but-3-yn-2-yloxy-2-nitro-N-propylaniline
CID 106795368
3-(2-fluorophenoxy)-2-nitroaniline
CID 80864284
3-(3,5-difluorophenoxy)-N-ethyl-2-nitroaniline
CID 80880492
3-(2-cyclopropylethoxy)-2-nitro-N-propylaniline
CID 106207575
ethyl 4-(3-fluoro-2-nitroanilino)butanoate
CID 64575091
N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 62641440

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-2-nitro-N-propylaniline?
The IUPAC name of 3-(2-fluorophenoxy)-2-nitro-N-propylaniline (CID 80866237) is 3-(2-fluorophenoxy)-2-nitro-N-propylaniline.
What is the SMILES notation for 3-(2-fluorophenoxy)-2-nitro-N-propylaniline?
The canonical SMILES for 3-(2-fluorophenoxy)-2-nitro-N-propylaniline is CCCNc1cccc(Oc2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of 3-(2-fluorophenoxy)-2-nitro-N-propylaniline?
The InChIKey is CBDDOHQYUGDAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-10-17-12-7-5-9-14(15(12)18(19)20)21-13-8-4-3-6-11(13)16/h3-9,17H,2,10H2,1H3.
What are the key properties of 3-(2-fluorophenoxy)-2-nitro-N-propylaniline?
3-(2-fluorophenoxy)-2-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-(2-fluorophenoxy)-2-nitro-N-propylaniline is sourced from PubChem (CID 80866237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).