N-ethyl-5-fluoro-2-nitro-N-propylaniline

C11H15FN2O2 — CID 142511621

IUPACN-ethyl-5-fluoro-2-nitro-N-propylaniline
SMILESCCCN(CC)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O2/c1-3-7-13(4-2)11-8-9(12)5-6-10(11)14(15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMIMLQGAOTATLOG-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.97
Rot. Bonds5

About N-ethyl-5-fluoro-2-nitro-N-propylaniline

N-ethyl-5-fluoro-2-nitro-N-propylaniline (PubChem CID 142511621) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-nitro-N-propylaniline.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-nitro-N-propylaniline
PubChem CID142511621
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-5-fluoro-2-nitro-N-propylaniline
SMILESCCCN(CC)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O2/c1-3-7-13(4-2)11-8-9(12)5-6-10(11)14(15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMIMLQGAOTATLOG-UHFFFAOYSA-N
XLogP2.97
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 2-(5-fluoro-2-nitro-N-propylanilino)acetate
CID 62378358
N'-(5-fluoro-2-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 90383171
2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
CID 65343582
4-[ethyl(propyl)amino]-3-nitrobenzoic acid
CID 43268917
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
3-[ethyl(2-hydroxyethyl)amino]-4-nitrobenzoic acid
CID 82784297
4-(5-fluoro-N-methyl-2-nitroanilino)butanoic acid
CID 62375711
5-fluoro-2-nitro-N-pentan-2-ylaniline
CID 62377790
5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide
CID 60876599
4-ethyl-3-nitro-N,N-dipropylaniline
CID 68587667
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-nitro-N-propylaniline?
The IUPAC name of N-ethyl-5-fluoro-2-nitro-N-propylaniline (CID 142511621) is N-ethyl-5-fluoro-2-nitro-N-propylaniline.
What is the SMILES notation for N-ethyl-5-fluoro-2-nitro-N-propylaniline?
The canonical SMILES for N-ethyl-5-fluoro-2-nitro-N-propylaniline is CCCN(CC)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5-fluoro-2-nitro-N-propylaniline?
The InChIKey is MIMLQGAOTATLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-7-13(4-2)11-8-9(12)5-6-10(11)14(15)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-ethyl-5-fluoro-2-nitro-N-propylaniline?
N-ethyl-5-fluoro-2-nitro-N-propylaniline has a molecular weight of 226.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-nitro-N-propylaniline is sourced from PubChem (CID 142511621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).