2-[(3-nitrophenyl)methoxy]aniline

C13H12N2O3 — CID 55032299

IUPAC2-[(3-nitrophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O3/c14-12-6-1-2-7-13(12)18-9-10-4-3-5-11(8-10)15(16)17/h1-8H,9,14H2
InChIKeySSCKDKWJUNEHOL-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.76
Rot. Bonds4

About 2-[(3-nitrophenyl)methoxy]aniline

2-[(3-nitrophenyl)methoxy]aniline (PubChem CID 55032299) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-[(3-nitrophenyl)methoxy]aniline
PubChem CID55032299
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[(3-nitrophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O3/c14-12-6-1-2-7-13(12)18-9-10-4-3-5-11(8-10)15(16)17/h1-8H,9,14H2
InChIKeySSCKDKWJUNEHOL-UHFFFAOYSA-N
XLogP2.76
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.76
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

4-[(3-nitrophenyl)methoxy]pyridin-3-amine
CID 143409687
1,2-dichloro-3-[(3-nitrophenyl)methoxy]benzene
CID 112787351
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
4,4,5,5-tetramethyl-2-[2-[(3-nitrophenyl)methoxy]phenyl]-1,3,2-dioxaborolane
CID 134820584
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 114320381
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
2-[(3-nitrophenyl)methoxy]pyridine
CID 112788687
3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine
CID 158441880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)methoxy]aniline?
The IUPAC name of 2-[(3-nitrophenyl)methoxy]aniline (CID 55032299) is 2-[(3-nitrophenyl)methoxy]aniline.
What is the SMILES notation for 2-[(3-nitrophenyl)methoxy]aniline?
The canonical SMILES for 2-[(3-nitrophenyl)methoxy]aniline is Nc1ccccc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrophenyl)methoxy]aniline?
The InChIKey is SSCKDKWJUNEHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-12-6-1-2-7-13(12)18-9-10-4-3-5-11(8-10)15(16)17/h1-8H,9,14H2.
What are the key properties of 2-[(3-nitrophenyl)methoxy]aniline?
2-[(3-nitrophenyl)methoxy]aniline has a molecular weight of 244.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)methoxy]aniline is sourced from PubChem (CID 55032299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).