2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine

C12H16FNO — CID 83820638

IUPAC2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
SMILESNCCC1(c2ccccc2F)CCOC1
InChIInChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)12(5-7-14)6-8-15-9-12/h1-4H,5-9,14H2
InChIKeyIIWFYWNERJJFNJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.83
Rot. Bonds3

About 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine

2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine (PubChem CID 83820638) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
PubChem CID83820638
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
SMILESNCCC1(c2ccccc2F)CCOC1
InChIInChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)12(5-7-14)6-8-15-9-12/h1-4H,5-9,14H2
InChIKeyIIWFYWNERJJFNJ-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-fluorophenyl)oxolan-3-yl]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

2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
CID 83822203
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
CID 83822618
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
4-(bromomethyl)-4-(2-fluorophenyl)oxane
CID 82093429
1-[4-(2-fluorophenyl)oxan-4-yl]propan-2-amine
CID 170891269
2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine
CID 83824748
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008487
4-(2-fluorophenyl)oxan-4-ol
CID 63220717
[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003215

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine (CID 83820638) is 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine is NCCC1(c2ccccc2F)CCOC1.
What is the InChIKey of 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine?
The InChIKey is IIWFYWNERJJFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)12(5-7-14)6-8-15-9-12/h1-4H,5-9,14H2.
What are the key properties of 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine?
2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine has a molecular weight of 209.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine is sourced from PubChem (CID 83820638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).