3-(diethylaminomethyl)-2-fluoroaniline

C11H17FN2 — CID 107347165

IUPAC3-(diethylaminomethyl)-2-fluoroaniline
SMILESCCN(CC)Cc1cccc(N)c1F
InChIInChI=1S/C11H17FN2/c1-3-14(4-2)8-9-6-5-7-10(13)11(9)12/h5-7H,3-4,8,13H2,1-2H3
InChIKeyWPJXGSNOYQEWFJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.25
Rot. Bonds4

About 3-(diethylaminomethyl)-2-fluoroaniline

3-(diethylaminomethyl)-2-fluoroaniline (PubChem CID 107347165) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-2-fluoroaniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)-2-fluoroaniline
PubChem CID107347165
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-(diethylaminomethyl)-2-fluoroaniline
SMILESCCN(CC)Cc1cccc(N)c1F
InChIInChI=1S/C11H17FN2/c1-3-14(4-2)8-9-6-5-7-10(13)11(9)12/h5-7H,3-4,8,13H2,1-2H3
InChIKeyWPJXGSNOYQEWFJ-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
2-fluoro-3-[[methyl(propyl)amino]methyl]aniline
CID 107347221
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
CID 107347223
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
ethane;2-fluoro-3-[[[(2E,4Z)-hexa-2,4-dien-3-yl]-methylamino]methyl]aniline
CID 162521035
2-[[(3,5-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 105404018
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
4-[[(3-chloro-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 102856212
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 107951116
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-2-fluoroaniline?
The IUPAC name of 3-(diethylaminomethyl)-2-fluoroaniline (CID 107347165) is 3-(diethylaminomethyl)-2-fluoroaniline.
What is the SMILES notation for 3-(diethylaminomethyl)-2-fluoroaniline?
The canonical SMILES for 3-(diethylaminomethyl)-2-fluoroaniline is CCN(CC)Cc1cccc(N)c1F.
What is the InChIKey of 3-(diethylaminomethyl)-2-fluoroaniline?
The InChIKey is WPJXGSNOYQEWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-14(4-2)8-9-6-5-7-10(13)11(9)12/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)-2-fluoroaniline?
3-(diethylaminomethyl)-2-fluoroaniline has a molecular weight of 196.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-2-fluoroaniline is sourced from PubChem (CID 107347165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).