2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide

C14H21FN2O2 — CID 112609537

IUPAC2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
SMILESCCNCc1cccc(F)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C14H21FN2O2/c1-5-16-9-11-7-6-8-12(15)13(11)19-10(2)14(18)17(3)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyYVIVVNRLRFNKCH-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.79
Rot. Bonds6

About 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide

2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide (PubChem CID 112609537) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
PubChem CID112609537
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
SMILESCCNCc1cccc(F)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C14H21FN2O2/c1-5-16-9-11-7-6-8-12(15)13(11)19-10(2)14(18)17(3)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyYVIVVNRLRFNKCH-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 115954792
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43472036
2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 115953395
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide (CID 112609537) is 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide is CCNCc1cccc(F)c1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide?
The InChIKey is YVIVVNRLRFNKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-5-16-9-11-7-6-8-12(15)13(11)19-10(2)14(18)17(3)4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide?
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide has a molecular weight of 268.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 112609537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).