2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine

C11H15F2NO — CID 62485370

IUPAC2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-3-14-7-8(2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyTVTXBZDRJVZVOF-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.34
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine

2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine (PubChem CID 62485370) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
PubChem CID62485370
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-3-14-7-8(2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyTVTXBZDRJVZVOF-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenoxy)-N-ethylpropan-1-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

2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
N-[2-(4-bromo-3-fluorophenoxy)propyl]butan-1-amine
CID 65201064
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine
CID 62484837
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228797

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine (CID 62485370) is 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine is CCNCC(C)Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine?
The InChIKey is TVTXBZDRJVZVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-14-7-8(2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine?
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 62485370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).