5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine

C13H19F2NO — CID 55169271

IUPAC5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCOc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-3-16-10(2)5-4-8-17-13-9-11(14)6-7-12(13)15/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyOGIIXQPBDGVYAK-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.12
Rot. Bonds7

About 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine

5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine (PubChem CID 55169271) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
PubChem CID55169271
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCOc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-3-16-10(2)5-4-8-17-13-9-11(14)6-7-12(13)15/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyOGIIXQPBDGVYAK-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine 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

N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
1,4-difluoro-2-hexoxybenzene
CID 23437312
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
N-[2-(2,5-difluorophenoxy)propyl]pentan-2-amine
CID 63272991
5-(2,5-difluorophenoxy)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804787
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine?
The IUPAC name of 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine (CID 55169271) is 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine is CCNC(C)CCCOc1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine?
The InChIKey is OGIIXQPBDGVYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-16-10(2)5-4-8-17-13-9-11(14)6-7-12(13)15/h6-7,9-10,16H,3-5,8H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine?
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine is sourced from PubChem (CID 55169271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).