2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline

C13H18FNO2 — CID 62585173

IUPAC2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline
SMILESFc1ccccc1NCCOCC1CCOC1
InChIInChI=1S/C13H18FNO2/c14-12-3-1-2-4-13(12)15-6-8-17-10-11-5-7-16-9-11/h1-4,11,15H,5-10H2
InChIKeyVGVVOXFIDSRMLO-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.29
Rot. Bonds6

About 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline

2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline (PubChem CID 62585173) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline
PubChem CID62585173
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline
SMILESFc1ccccc1NCCOCC1CCOC1
InChIInChI=1S/C13H18FNO2/c14-12-3-1-2-4-13(12)15-6-8-17-10-11-5-7-16-9-11/h1-4,11,15H,5-10H2
InChIKeyVGVVOXFIDSRMLO-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline 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-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647302
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742
1-[3-(2-fluoro-N-methylanilino)propyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111646937
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
2-fluoro-5-methoxy-4-nitro-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]aniline
CID 97063282
6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine
CID 133394297
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline
CID 114342567
N-[3-(oxolan-3-ylmethoxy)propyl]-1,3-dihydroisoindole-2-carboxamide
CID 75422050
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline?
The IUPAC name of 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline (CID 62585173) is 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline is Fc1ccccc1NCCOCC1CCOC1.
What is the InChIKey of 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline?
The InChIKey is VGVVOXFIDSRMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-3-1-2-4-13(12)15-6-8-17-10-11-5-7-16-9-11/h1-4,11,15H,5-10H2.
What are the key properties of 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline?
2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline has a molecular weight of 239.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline is sourced from PubChem (CID 62585173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).