2-fluoro-5-(2-methoxyethoxy)-N-methylaniline

C10H14FNO2 — CID 67812902

IUPAC2-fluoro-5-(2-methoxyethoxy)-N-methylaniline
SMILESCNc1cc(OCCOC)ccc1F
InChIInChI=1S/C10H14FNO2/c1-12-10-7-8(3-4-9(10)11)14-6-5-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyHMVXOWYBJSBBKQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.89
Rot. Bonds5

About 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline

2-fluoro-5-(2-methoxyethoxy)-N-methylaniline (PubChem CID 67812902) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-5-(2-methoxyethoxy)-N-methylaniline
PubChem CID67812902
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-fluoro-5-(2-methoxyethoxy)-N-methylaniline
SMILESCNc1cc(OCCOC)ccc1F
InChIInChI=1S/C10H14FNO2/c1-12-10-7-8(3-4-9(10)11)14-6-5-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyHMVXOWYBJSBBKQ-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
methyl 4-[4-[4-methoxycarbonyl-3-(methylamino)phenoxy]butoxy]-2-(methylamino)benzoate
CID 162752160
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
CID 65202692
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline?
The IUPAC name of 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline (CID 67812902) is 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline.
What is the SMILES notation for 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline?
The canonical SMILES for 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline is CNc1cc(OCCOC)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline?
The InChIKey is HMVXOWYBJSBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-12-10-7-8(3-4-9(10)11)14-6-5-13-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline?
2-fluoro-5-(2-methoxyethoxy)-N-methylaniline has a molecular weight of 199.22 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methoxyethoxy)-N-methylaniline is sourced from PubChem (CID 67812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).