2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline

C15H16N2O3 — CID 775272

IUPAC2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O3/c1-11-3-8-15(20-2)14(9-11)16-10-12-4-6-13(7-5-12)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyGYPACXNURUHROI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.52
Rot. Bonds5

About 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline

2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline (PubChem CID 775272) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline
PubChem CID775272
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O3/c1-11-3-8-15(20-2)14(9-11)16-10-12-4-6-13(7-5-12)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyGYPACXNURUHROI-UHFFFAOYSA-N
XLogP3.52
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline (CID 775272) is 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline is COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline?
The InChIKey is GYPACXNURUHROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-3-8-15(20-2)14(9-11)16-10-12-4-6-13(7-5-12)17(18)19/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline?
2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline has a molecular weight of 272.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(4-nitrophenyl)methyl]aniline is sourced from PubChem (CID 775272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).