N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline

C15H15FN2O3 — CID 107662799

IUPACN-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline
SMILESCCNc1cccc(Oc2cccc(C)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-3-17-11-7-5-9-13(15(11)18(19)20)21-12-8-4-6-10(2)14(12)16/h4-9,17H,3H2,1-2H3
InChIKeyKIIDIAHCWBLNKH-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.27
Rot. Bonds5

About N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline

N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline (PubChem CID 107662799) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline
PubChem CID107662799
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline
SMILESCCNc1cccc(Oc2cccc(C)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-3-17-11-7-5-9-13(15(11)18(19)20)21-12-8-4-6-10(2)14(12)16/h4-9,17H,3H2,1-2H3
InChIKeyKIIDIAHCWBLNKH-UHFFFAOYSA-N
XLogP4.27
TPSA64.40 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 ≤ 54.27
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

N-ethyl-3-(2-ethylphenoxy)-2-nitroaniline
CID 80875743
3-(3,5-difluorophenoxy)-N-ethyl-2-nitroaniline
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3-(4-chloro-2-methylphenoxy)-N-ethyl-2-nitroaniline
CID 80865072
3-(4-bromo-3-methylphenoxy)-N-ethyl-2-nitroaniline
CID 83135658
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
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CID 80866237
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
N-ethyl-2-nitro-3-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80870608
N-ethyl-3-heptoxy-2-nitroaniline
CID 80861681
3-[3-(dimethylamino)propoxy]-N-ethyl-2-nitroaniline
CID 80871733
N-ethyl-2-nitro-3-(thiophen-2-ylmethoxy)aniline
CID 80872815
3-but-3-enoxy-N-ethyl-2-nitroaniline
CID 80862115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline?
The IUPAC name of N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline (CID 107662799) is N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline.
What is the SMILES notation for N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline?
The canonical SMILES for N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline is CCNc1cccc(Oc2cccc(C)c2F)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline?
The InChIKey is KIIDIAHCWBLNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-3-17-11-7-5-9-13(15(11)18(19)20)21-12-8-4-6-10(2)14(12)16/h4-9,17H,3H2,1-2H3.
What are the key properties of N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline?
N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline has a molecular weight of 290.29 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluoro-3-methylphenoxy)-2-nitroaniline is sourced from PubChem (CID 107662799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).