2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine

C9H11FN2O4 — CID 63598346

IUPAC2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
SMILESCOc1cc(OCCN)c([N+](=O)[O-])cc1F
InChIInChI=1S/C9H11FN2O4/c1-15-8-5-9(16-3-2-11)7(12(13)14)4-6(8)10/h4-5H,2-3,11H2,1H3
InChIKeyWNGWEJPNGCZWMQ-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.08
Rot. Bonds5

About 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine

2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine (PubChem CID 63598346) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
PubChem CID63598346
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
SMILESCOc1cc(OCCN)c([N+](=O)[O-])cc1F
InChIInChI=1S/C9H11FN2O4/c1-15-8-5-9(16-3-2-11)7(12(13)14)4-6(8)10/h4-5H,2-3,11H2,1H3
InChIKeyWNGWEJPNGCZWMQ-UHFFFAOYSA-N
XLogP1.08
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine 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

3-[(4-fluoro-5-methoxy-2-nitrophenoxy)methyl]pentan-3-amine
CID 64573421
2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid
CID 107260614
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol
CID 63600107
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 107260643
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
CID 63599233
N'-(4-fluoro-5-methoxy-2-nitrophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79653230
methyl 5-butoxy-2-fluoro-4-nitrobenzoate
CID 113442855
1-(3-chloropropylsulfonyl)-4-fluoro-5-methoxy-2-nitrobenzene
CID 66127657
2-fluoro-5-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid
CID 104699239
N-ethyl-3-(4-fluoro-5-methoxy-2-nitrophenyl)butan-2-amine
CID 63597479

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine?
The IUPAC name of 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine (CID 63598346) is 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine.
What is the SMILES notation for 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine?
The canonical SMILES for 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine is COc1cc(OCCN)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine?
The InChIKey is WNGWEJPNGCZWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-15-8-5-9(16-3-2-11)7(12(13)14)4-6(8)10/h4-5H,2-3,11H2,1H3.
What are the key properties of 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine?
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine has a molecular weight of 230.19 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine is sourced from PubChem (CID 63598346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).