3-(2-nitrophenoxy)aniline

C12H10N2O3 — CID 12638058

IUPAC3-(2-nitrophenoxy)aniline
SMILESNc1cccc(Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3/c13-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)14(15)16/h1-8H,13H2
InChIKeyDOWZNARJMQKVGO-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.97
Rot. Bonds3

About 3-(2-nitrophenoxy)aniline

3-(2-nitrophenoxy)aniline (PubChem CID 12638058) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(2-nitrophenoxy)aniline.

Molecular Properties

Compound Name3-(2-nitrophenoxy)aniline
PubChem CID12638058
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(2-nitrophenoxy)aniline
SMILESNc1cccc(Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3/c13-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)14(15)16/h1-8H,13H2
InChIKeyDOWZNARJMQKVGO-UHFFFAOYSA-N
XLogP2.97
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.97
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-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
3-(5-chloro-2-nitrophenoxy)aniline
CID 113316446
3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684
5-(2-nitrophenoxy)pyridin-3-amine
CID 104536596
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-(2-nitrophenoxy)benzonitrile
CID 9194888
1-(3-ethynylphenoxy)-2-nitrobenzene
CID 166925142
3-(4-fluoro-5-methyl-2-nitrophenoxy)aniline
CID 103594291
3-(8-nitroisoquinolin-5-yl)oxyaniline
CID 61027707
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
3-(3-nitroquinolin-4-yl)oxyaniline
CID 103964825
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenoxy)aniline?
The IUPAC name of 3-(2-nitrophenoxy)aniline (CID 12638058) is 3-(2-nitrophenoxy)aniline.
What is the SMILES notation for 3-(2-nitrophenoxy)aniline?
The canonical SMILES for 3-(2-nitrophenoxy)aniline is Nc1cccc(Oc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-(2-nitrophenoxy)aniline?
The InChIKey is DOWZNARJMQKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)14(15)16/h1-8H,13H2.
What are the key properties of 3-(2-nitrophenoxy)aniline?
3-(2-nitrophenoxy)aniline has a molecular weight of 230.22 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenoxy)aniline is sourced from PubChem (CID 12638058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).