1-(2,5-difluorophenyl)-N-ethoxyethanamine

C10H13F2NO — CID 115282507

IUPAC1-(2,5-difluorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO/c1-3-14-13-7(2)9-6-8(11)4-5-10(9)12/h4-7,13H,3H2,1-2H3
InChIKeyWEXRQJKJEKDXNF-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.57
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-ethoxyethanamine

1-(2,5-difluorophenyl)-N-ethoxyethanamine (PubChem CID 115282507) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethoxyethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethoxyethanamine
PubChem CID115282507
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(2,5-difluorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO/c1-3-14-13-7(2)9-6-8(11)4-5-10(9)12/h4-7,13H,3H2,1-2H3
InChIKeyWEXRQJKJEKDXNF-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712392
2-[1-(2,5-difluorophenyl)ethylamino]oxyacetamide
CID 112673156
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethoxyethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethoxyethanamine (CID 115282507) is 1-(2,5-difluorophenyl)-N-ethoxyethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethoxyethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethoxyethanamine is CCONC(C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethoxyethanamine?
The InChIKey is WEXRQJKJEKDXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-3-14-13-7(2)9-6-8(11)4-5-10(9)12/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethoxyethanamine?
1-(2,5-difluorophenyl)-N-ethoxyethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethoxyethanamine is sourced from PubChem (CID 115282507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).