3-methoxy-N-(4-nitrophenyl)aniline

C13H12N2O3 — CID 4763849

IUPAC3-methoxy-N-(4-nitrophenyl)aniline
SMILESCOc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H12N2O3/c1-18-13-4-2-3-11(9-13)14-10-5-7-12(8-6-10)15(16)17/h2-9,14H,1H3
InChIKeyAOLOGBAMGFGMHD-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.35
Rot. Bonds4

About 3-methoxy-N-(4-nitrophenyl)aniline

3-methoxy-N-(4-nitrophenyl)aniline (PubChem CID 4763849) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-methoxy-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(4-nitrophenyl)aniline
PubChem CID4763849
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-methoxy-N-(4-nitrophenyl)aniline
SMILESCOc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H12N2O3/c1-18-13-4-2-3-11(9-13)14-10-5-7-12(8-6-10)15(16)17/h2-9,14H,1H3
InChIKeyAOLOGBAMGFGMHD-UHFFFAOYSA-N
XLogP3.35
TPSA64.40 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 ≤ 53.35
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

3-ethoxy-N-(4-nitrophenyl)aniline
CID 4763850
(4-nitrophenyl) N-(3-methoxyphenyl)sulfamate
CID 86189004
N-(3-methoxyphenyl)-6-(4-nitrophenoxy)pyrimidin-4-amine
CID 57431458
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
3-(4-fluoroanilino)-1-(3-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110584955
N-(3-methoxyanilino)nitramide
CID 175005472
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
1-methoxy-3-nitrobenzene;molecular nitrogen;hydrochloride
CID 173306835
(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
CID 118367349

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-nitrophenyl)aniline?
The IUPAC name of 3-methoxy-N-(4-nitrophenyl)aniline (CID 4763849) is 3-methoxy-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 3-methoxy-N-(4-nitrophenyl)aniline?
The canonical SMILES for 3-methoxy-N-(4-nitrophenyl)aniline is COc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-methoxy-N-(4-nitrophenyl)aniline?
The InChIKey is AOLOGBAMGFGMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-13-4-2-3-11(9-13)14-10-5-7-12(8-6-10)15(16)17/h2-9,14H,1H3.
What are the key properties of 3-methoxy-N-(4-nitrophenyl)aniline?
3-methoxy-N-(4-nitrophenyl)aniline has a molecular weight of 244.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 4763849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).