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

C9H11F2NO — CID 28582802

IUPAC2,4-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyXCIYSYAIAZGSLZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.02
Rot. Bonds4

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

2,4-difluoro-N-(2-methoxyethyl)aniline (PubChem CID 28582802) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methoxyethyl)aniline
PubChem CID28582802
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2,4-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyXCIYSYAIAZGSLZ-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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

Related Compounds

N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N-Butylaniline
CID 14310
N-(2-Hydroxyethyl)aniline
CID 31235
4-Fluoro-N-methylaniline
CID 68024
Benzenamine, 4-(4-morpholinyl)-
CID 75655
3-(Phenylamino)propan-1-ol
CID 410467
N-Phenylglycine ethyl ester
CID 75190
N-sec-Butylaniline
CID 253532
Benzenamine, N-propyl-
CID 12153
Acetamide, N-(4-fluorophenyl)-2-methoxy-
CID 532080
Ethyl 2-(phenylamino)propanoate
CID 296040

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 2,4-difluoro-N-(2-methoxyethyl)aniline (CID 28582802) is 2,4-difluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(2-methoxyethyl)aniline is COCCNc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-methoxyethyl)aniline?
The InChIKey is XCIYSYAIAZGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2,4-difluoro-N-(2-methoxyethyl)aniline?
2,4-difluoro-N-(2-methoxyethyl)aniline has a molecular weight of 187.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 28582802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).