3-(2-ethylphenoxy)-5-nitroaniline

C14H14N2O3 — CID 80875741

IUPAC3-(2-ethylphenoxy)-5-nitroaniline
SMILESCCc1ccccc1Oc1cc(N)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O3/c1-2-10-5-3-4-6-14(10)19-13-8-11(15)7-12(9-13)16(17)18/h3-9H,2,15H2,1H3
InChIKeyAZJCUCAWIIWZEX-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.53
Rot. Bonds4

About 3-(2-ethylphenoxy)-5-nitroaniline

3-(2-ethylphenoxy)-5-nitroaniline (PubChem CID 80875741) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-5-nitroaniline.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-5-nitroaniline
PubChem CID80875741
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(2-ethylphenoxy)-5-nitroaniline
SMILESCCc1ccccc1Oc1cc(N)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O3/c1-2-10-5-3-4-6-14(10)19-13-8-11(15)7-12(9-13)16(17)18/h3-9H,2,15H2,1H3
InChIKeyAZJCUCAWIIWZEX-UHFFFAOYSA-N
XLogP3.53
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-(2,6-dimethoxyphenoxy)-5-nitroaniline
CID 80865638
3-(2-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995697
2-(3-nitro-5-propoxyphenoxy)aniline
CID 80743976
3-[(2-fluorophenyl)methoxy]-5-nitroaniline
CID 80876570
3-nitro-5-quinolin-8-yloxyaniline
CID 80874690
3-(4-iodophenoxy)-5-nitroaniline
CID 5057933
N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine
CID 132578102
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
3-(3,4-dichlorophenoxy)-5-nitroaniline
CID 80874924
4-(3-amino-5-nitrophenoxy)benzoic acid
CID 174260769

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-5-nitroaniline?
The IUPAC name of 3-(2-ethylphenoxy)-5-nitroaniline (CID 80875741) is 3-(2-ethylphenoxy)-5-nitroaniline.
What is the SMILES notation for 3-(2-ethylphenoxy)-5-nitroaniline?
The canonical SMILES for 3-(2-ethylphenoxy)-5-nitroaniline is CCc1ccccc1Oc1cc(N)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-ethylphenoxy)-5-nitroaniline?
The InChIKey is AZJCUCAWIIWZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-10-5-3-4-6-14(10)19-13-8-11(15)7-12(9-13)16(17)18/h3-9H,2,15H2,1H3.
What are the key properties of 3-(2-ethylphenoxy)-5-nitroaniline?
3-(2-ethylphenoxy)-5-nitroaniline has a molecular weight of 258.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)-5-nitroaniline is sourced from PubChem (CID 80875741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).