2-methoxy-5-nitro-N-propan-2-ylaniline

C10H14N2O3 — CID 792679

IUPAC2-methoxy-5-nitro-N-propan-2-ylaniline
SMILESCOc1ccc([N+](=O)[O-])cc1NC(C)C
InChIInChI=1S/C10H14N2O3/c1-7(2)11-9-6-8(12(13)14)4-5-10(9)15-3/h4-7,11H,1-3H3
InChIKeyREROIBZIPDUMTP-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.42
Rot. Bonds4

About 2-methoxy-5-nitro-N-propan-2-ylaniline

2-methoxy-5-nitro-N-propan-2-ylaniline (PubChem CID 792679) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-propan-2-ylaniline
PubChem CID792679
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methoxy-5-nitro-N-propan-2-ylaniline
SMILESCOc1ccc([N+](=O)[O-])cc1NC(C)C
InChIInChI=1S/C10H14N2O3/c1-7(2)11-9-6-8(12(13)14)4-5-10(9)15-3/h4-7,11H,1-3H3
InChIKeyREROIBZIPDUMTP-UHFFFAOYSA-N
XLogP2.42
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.42
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'}

Analyze 2-methoxy-5-nitro-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-5-nitroaniline
CID 7447
3'-Amino-4'-methoxyacetanilide
CID 80779
3'-Nitro-p-acetophenetidide
CID 15685
5-Nitro-2-propoxyaniline
CID 11118
5'-Nitro-2'-propoxyacetanilide
CID 68377
1-Methoxy-2-amino-4-(2-hydroxyethylamino)benzene
CID 3019283
2-Amino-4-((2-hydroxyethyl)amino)anisole sulfate
CID 14453744
4'-Methoxy-3'-nitroacetanilide
CID 95043
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
2-Ethoxy-5-nitrobenzenamine
CID 8702
Aniline, 2-isopropoxy-5-nitro-
CID 40953
o-Anisidino-acetonitrile
CID 34227

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-propan-2-ylaniline?
The IUPAC name of 2-methoxy-5-nitro-N-propan-2-ylaniline (CID 792679) is 2-methoxy-5-nitro-N-propan-2-ylaniline.
What is the SMILES notation for 2-methoxy-5-nitro-N-propan-2-ylaniline?
The canonical SMILES for 2-methoxy-5-nitro-N-propan-2-ylaniline is COc1ccc([N+](=O)[O-])cc1NC(C)C.
What is the InChIKey of 2-methoxy-5-nitro-N-propan-2-ylaniline?
The InChIKey is REROIBZIPDUMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)11-9-6-8(12(13)14)4-5-10(9)15-3/h4-7,11H,1-3H3.
What are the key properties of 2-methoxy-5-nitro-N-propan-2-ylaniline?
2-methoxy-5-nitro-N-propan-2-ylaniline has a molecular weight of 210.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-propan-2-ylaniline is sourced from PubChem (CID 792679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).