2-methoxy-N-(2-methylpropyl)-5-nitroaniline

C11H16N2O3 — CID 43717753

IUPAC2-methoxy-N-(2-methylpropyl)-5-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(C)C
InChIInChI=1S/C11H16N2O3/c1-8(2)7-12-10-6-9(13(14)15)4-5-11(10)16-3/h4-6,8,12H,7H2,1-3H3
InChIKeyQXEVUYZCMGZPDS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.67
Rot. Bonds5

About 2-methoxy-N-(2-methylpropyl)-5-nitroaniline

2-methoxy-N-(2-methylpropyl)-5-nitroaniline (PubChem CID 43717753) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylpropyl)-5-nitroaniline.

Molecular Properties

Compound Name2-methoxy-N-(2-methylpropyl)-5-nitroaniline
PubChem CID43717753
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methoxy-N-(2-methylpropyl)-5-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(C)C
InChIInChI=1S/C11H16N2O3/c1-8(2)7-12-10-6-9(13(14)15)4-5-11(10)16-3/h4-6,8,12H,7H2,1-3H3
InChIKeyQXEVUYZCMGZPDS-UHFFFAOYSA-N
XLogP2.67
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.67
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

2-methoxy-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 43717786
N-(3,3-dimethylbutyl)-2-methoxy-5-nitroaniline
CID 55211790
2-methoxy-5-nitro-N-pentan-2-ylaniline
CID 43717779
2-methoxy-5-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 831553
N-[(2-ethylphenyl)methyl]-2-methoxy-5-nitroaniline
CID 62391579
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-1-amine
CID 62548321
2-methoxy-N-(3-methylbutyl)-4-nitroaniline
CID 43720047
N-hexan-2-yl-2-methoxy-5-nitroaniline
CID 43785353
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]-5-nitroaniline
CID 43717772
N-heptan-2-yl-2-methoxy-5-nitroaniline
CID 43717718
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-nitroaniline
CID 43717727

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylpropyl)-5-nitroaniline?
The IUPAC name of 2-methoxy-N-(2-methylpropyl)-5-nitroaniline (CID 43717753) is 2-methoxy-N-(2-methylpropyl)-5-nitroaniline.
What is the SMILES notation for 2-methoxy-N-(2-methylpropyl)-5-nitroaniline?
The canonical SMILES for 2-methoxy-N-(2-methylpropyl)-5-nitroaniline is COc1ccc([N+](=O)[O-])cc1NCC(C)C.
What is the InChIKey of 2-methoxy-N-(2-methylpropyl)-5-nitroaniline?
The InChIKey is QXEVUYZCMGZPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(2)7-12-10-6-9(13(14)15)4-5-11(10)16-3/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methylpropyl)-5-nitroaniline?
2-methoxy-N-(2-methylpropyl)-5-nitroaniline has a molecular weight of 224.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylpropyl)-5-nitroaniline is sourced from PubChem (CID 43717753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).