3,4-difluoro-N-(2-methoxyethyl)aniline

C9H11F2NO — CID 28579883

IUPAC3,4-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-13-5-4-12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyUYIYUKMHVIRJJC-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.02
Rot. Bonds4

About 3,4-difluoro-N-(2-methoxyethyl)aniline

3,4-difluoro-N-(2-methoxyethyl)aniline (PubChem CID 28579883) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(2-methoxyethyl)aniline
PubChem CID28579883
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3,4-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-13-5-4-12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyUYIYUKMHVIRJJC-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 3,4-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

3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
3,4,5-trifluoro-N-(2-methoxyethyl)aniline
CID 62811343
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911689
2-N-(3,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911503
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
methyl 3-(3,4-difluoroanilino)propanoate
CID 43365403
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
N'-tert-butyl-N-(3,4-difluorophenyl)ethane-1,2-diamine
CID 107444543
methyl 4-(3,4-difluoroanilino)butanoate
CID 43377896

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 3,4-difluoro-N-(2-methoxyethyl)aniline (CID 28579883) is 3,4-difluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(2-methoxyethyl)aniline is COCCNc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-methoxyethyl)aniline?
The InChIKey is UYIYUKMHVIRJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-13-5-4-12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 3,4-difluoro-N-(2-methoxyethyl)aniline?
3,4-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 3,4-difluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 28579883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).