2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline

C11H15FN2O4 — CID 103867385

IUPAC2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline
SMILESCOCCCNc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H15FN2O4/c1-17-5-3-4-13-9-7-11(18-2)10(14(15)16)6-8(9)12/h6-7,13H,3-5H2,1-2H3
InChIKeyLURXETSGWFXDLQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.19
Rot. Bonds7

About 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline

2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline (PubChem CID 103867385) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline
PubChem CID103867385
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline
SMILESCOCCCNc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H15FN2O4/c1-17-5-3-4-13-9-7-11(18-2)10(14(15)16)6-8(9)12/h6-7,13H,3-5H2,1-2H3
InChIKeyLURXETSGWFXDLQ-UHFFFAOYSA-N
XLogP2.19
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline 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-fluoro-5-methoxy-4-nitro-N-(3-propoxypropyl)aniline
CID 107260361
6-(2-fluoro-5-methoxy-4-nitroanilino)hexan-1-ol
CID 103918152
5-(2-fluoro-5-methoxy-4-nitroanilino)pentan-2-ol
CID 107269258
2-fluoro-5-methoxy-4-nitro-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]aniline
CID 97063282
1-(2-fluoro-5-methoxy-4-nitroanilino)-3-methoxypropan-2-ol
CID 103867519
ethyl 3-(2-fluoro-5-methoxy-4-nitroanilino)propanoate
CID 107260005
tert-butyl N-[2-(2-fluoro-5-methoxy-4-nitroanilino)ethyl]carbamate
CID 103883319
1-N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 102809457
4-chloro-N-(3-methoxypropyl)-2-nitroaniline
CID 43089839
4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 83008459
2-fluoro-5-methoxy-4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 107260550
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
CID 86802918

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline?
The IUPAC name of 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline (CID 103867385) is 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline is COCCCNc1cc(OC)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline?
The InChIKey is LURXETSGWFXDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-17-5-3-4-13-9-7-11(18-2)10(14(15)16)6-8(9)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline?
2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline has a molecular weight of 258.25 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline is sourced from PubChem (CID 103867385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).