2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine

C14H19FN2O3 — CID 114416735

IUPAC2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
SMILESCc1cc(OCCCC2CCCN2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O3/c1-10-8-14(12(15)9-13(10)17(18)19)20-7-3-5-11-4-2-6-16-11/h8-9,11,16H,2-7H2,1H3
InChIKeyDLUQRJXVKQDTIC-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.95
Rot. Bonds6

About 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine

2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine (PubChem CID 114416735) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
PubChem CID114416735
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
SMILESCc1cc(OCCCC2CCCN2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O3/c1-10-8-14(12(15)9-13(10)17(18)19)20-7-3-5-11-4-2-6-16-11/h8-9,11,16H,2-7H2,1H3
InChIKeyDLUQRJXVKQDTIC-UHFFFAOYSA-N
XLogP2.95
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine 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-[3-(2,5-dimethyl-4-nitrophenoxy)propyl]pyrrolidine
CID 63181099
2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 107260643
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
CID 107260637
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 114417282
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
2-[3-(3-chloro-4-nitrophenoxy)propyl]pyrrolidine
CID 62478362
4-fluoro-5-methoxy-2-nitro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 114794371
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973157
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethoxy]ethanethiol
CID 114418329
2-fluoro-5-methoxy-4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 107260550
5-(2-fluoro-5-methyl-4-nitrophenoxy)-2,2-dimethylpentanenitrile
CID 114416696

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine (CID 114416735) is 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine is Cc1cc(OCCCC2CCCN2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine?
The InChIKey is DLUQRJXVKQDTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10-8-14(12(15)9-13(10)17(18)19)20-7-3-5-11-4-2-6-16-11/h8-9,11,16H,2-7H2,1H3.
What are the key properties of 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine?
2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine has a molecular weight of 282.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine is sourced from PubChem (CID 114416735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).