2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine

C11H17FN2O — CID 61101901

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-14(2)5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyXHJJWQOUCMMPDK-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine

2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine (PubChem CID 61101901) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
PubChem CID61101901
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-14(2)5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyXHJJWQOUCMMPDK-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[4-(3-ethylsulfanylpropoxy)-3-fluorophenyl]methanamine
CID 107686239
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenecarbothioamide
CID 61102663
2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
CID 145332218

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine (CID 61101901) is 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine?
The InChIKey is XHJJWQOUCMMPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-14(2)5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine?
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine has a molecular weight of 212.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 61101901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).