2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine

C13H17F2NO2 — CID 81269052

IUPAC2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
SMILESFc1cccc(F)c1OCCNCC1CCCO1
InChIInChI=1S/C13H17F2NO2/c14-11-4-1-5-12(15)13(11)18-8-6-16-9-10-3-2-7-17-10/h1,4-5,10,16H,2-3,6-9H2
InChIKeyDONPTQVFUGIHIF-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.11
Rot. Bonds6

About 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine

2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 81269052) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID81269052
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
SMILESFc1cccc(F)c1OCCNCC1CCCO1
InChIInChI=1S/C13H17F2NO2/c14-11-4-1-5-12(15)13(11)18-8-6-16-9-10-3-2-7-17-10/h1,4-5,10,16H,2-3,6-9H2
InChIKeyDONPTQVFUGIHIF-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)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-(3,4-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 62598927
N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54809610
2-(3-tert-butylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 7394073
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 2430853
2-(3-bromophenoxy)-N-(oxan-2-ylmethyl)ethanamine
CID 55014516
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62571024
N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681187
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 3765371
2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7380062

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine (CID 81269052) is 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine is Fc1cccc(F)c1OCCNCC1CCCO1.
What is the InChIKey of 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DONPTQVFUGIHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-11-4-1-5-12(15)13(11)18-8-6-16-9-10-3-2-7-17-10/h1,4-5,10,16H,2-3,6-9H2.
What are the key properties of 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine?
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 257.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 81269052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).