2-(2,2-dimethoxyethyl)-4-fluoroaniline

C10H14FNO2 — CID 55253176

IUPAC2-(2,2-dimethoxyethyl)-4-fluoroaniline
SMILESCOC(Cc1cc(F)ccc1N)OC
InChIInChI=1S/C10H14FNO2/c1-13-10(14-2)6-7-5-8(11)3-4-9(7)12/h3-5,10H,6,12H2,1-2H3
InChIKeyWNAPKZNZAQIGDB-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.57
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)-4-fluoroaniline

2-(2,2-dimethoxyethyl)-4-fluoroaniline (PubChem CID 55253176) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)-4-fluoroaniline
PubChem CID55253176
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-(2,2-dimethoxyethyl)-4-fluoroaniline
SMILESCOC(Cc1cc(F)ccc1N)OC
InChIInChI=1S/C10H14FNO2/c1-13-10(14-2)6-7-5-8(11)3-4-9(7)12/h3-5,10H,6,12H2,1-2H3
InChIKeyWNAPKZNZAQIGDB-UHFFFAOYSA-N
XLogP1.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
2-(2-amino-3,3,3-trifluoropropyl)-4-fluoroaniline;hydrochloride
CID 117047246
4-fluoro-2-propylaniline
CID 23348947
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
CID 65092447
methyl 4-(2-amino-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 138688067
2-[(3,5-difluorophenoxy)methyl]-4-fluoroaniline
CID 62786342
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
4-fluoro-2-heptylaniline
CID 67191637

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)-4-fluoroaniline?
The IUPAC name of 2-(2,2-dimethoxyethyl)-4-fluoroaniline (CID 55253176) is 2-(2,2-dimethoxyethyl)-4-fluoroaniline.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)-4-fluoroaniline?
The canonical SMILES for 2-(2,2-dimethoxyethyl)-4-fluoroaniline is COC(Cc1cc(F)ccc1N)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)-4-fluoroaniline?
The InChIKey is WNAPKZNZAQIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-10(14-2)6-7-5-8(11)3-4-9(7)12/h3-5,10H,6,12H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)-4-fluoroaniline?
2-(2,2-dimethoxyethyl)-4-fluoroaniline has a molecular weight of 199.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)-4-fluoroaniline is sourced from PubChem (CID 55253176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).