2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine

C11H15F2NO — CID 83886558

IUPAC2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
SMILESCCOc1cc(F)c(F)cc1CCNC
InChIInChI=1S/C11H15F2NO/c1-3-15-11-7-10(13)9(12)6-8(11)4-5-14-2/h6-7,14H,3-5H2,1-2H3
InChIKeyLWWJJLXIJNDYKK-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.13
Rot. Bonds5

About 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine

2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine (PubChem CID 83886558) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
PubChem CID83886558
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
SMILESCCOc1cc(F)c(F)cc1CCNC
InChIInChI=1S/C11H15F2NO/c1-3-15-11-7-10(13)9(12)6-8(11)4-5-14-2/h6-7,14H,3-5H2,1-2H3
InChIKeyLWWJJLXIJNDYKK-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine 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-(2-ethoxy-4,5-difluorophenyl)ethanamine
CID 83880849
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
CID 83890042
2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde
CID 83880628
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
2-ethoxy-4,5-difluorophenol
CID 131306358
1-[(2-ethoxy-4,5-difluorophenyl)methyl]pyrrolidine;methanamine
CID 177027717

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine (CID 83886558) is 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine is CCOc1cc(F)c(F)cc1CCNC.
What is the InChIKey of 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine?
The InChIKey is LWWJJLXIJNDYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-15-11-7-10(13)9(12)6-8(11)4-5-14-2/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine?
2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 83886558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).