4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine

C10H15FN2O — CID 61427358

IUPAC4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
SMILESCOCCN(C)c1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O/c1-13(5-6-14-2)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyMAPDZLUQXBZEDB-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.49
Rot. Bonds4

About 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine

4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 61427358) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
PubChem CID61427358
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
SMILESCOCCN(C)c1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O/c1-13(5-6-14-2)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyMAPDZLUQXBZEDB-UHFFFAOYSA-N
XLogP1.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenamine, 4-(4-morpholinyl)-
CID 75655
5-Fluoro-2-(4-methylpiperazin-1-yl)aniline
CID 6485406
1,2-Benzenediamine, N1,N1-dimethyl-
CID 76083
2-Morpholinoaniline
CID 735756
2-[4-(2-Amino-phenyl)-piperazin-1-yl]-ethanol
CID 6485408
2-((2-Aminophenyl)amino)ethan-1-ol
CID 2114032
N,N-diethylphenylenediamine
CID 437497
3-Fluoro-4-morpholinoaniline
CID 1485330
4-(4-Fluorophenyl)morpholine
CID 11355855
2-((4-Fluorophenyl)amino)ethan-1-ol
CID 25791236
N-[2-(morpholin-4-yl)ethyl]aniline
CID 2737013
N-[2-(morpholin-4-yl)phenyl]acetamide
CID 826558

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine (CID 61427358) is 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine is COCCN(C)c1ccc(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is MAPDZLUQXBZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-13(5-6-14-2)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 61427358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).