5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline

C10H14F2N2O — CID 155573786

IUPAC5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(CN)c(F)cc1F
InChIInChI=1S/C10H14F2N2O/c1-15-3-2-14-10-4-7(6-13)8(11)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3
InChIKeyWWAFPJFKJUMVTL-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.48
Rot. Bonds5

About 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline

5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline (PubChem CID 155573786) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline
PubChem CID155573786
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(CN)c(F)cc1F
InChIInChI=1S/C10H14F2N2O/c1-15-3-2-14-10-4-7(6-13)8(11)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3
InChIKeyWWAFPJFKJUMVTL-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline (CID 155573786) is 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline is COCCNc1cc(CN)c(F)cc1F.
What is the InChIKey of 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline?
The InChIKey is WWAFPJFKJUMVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-15-3-2-14-10-4-7(6-13)8(11)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline?
5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline has a molecular weight of 216.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-difluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 155573786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).