2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide

C16H23FN2O2 — CID 115953395

IUPAC2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(F)cccc1CNCCC
InChIInChI=1S/C16H23FN2O2/c1-4-9-18-11-13-7-6-8-14(17)15(13)21-12(3)16(20)19-10-5-2/h5-8,12,18H,2,4,9-11H2,1,3H3,(H,19,20)
InChIKeyNDZLRHXCZSUOMS-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.39
Rot. Bonds9

About 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide

2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide (PubChem CID 115953395) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
PubChem CID115953395
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(F)cccc1CNCCC
InChIInChI=1S/C16H23FN2O2/c1-4-9-18-11-13-7-6-8-14(17)15(13)21-12(3)16(20)19-10-5-2/h5-8,12,18H,2,4,9-11H2,1,3H3,(H,19,20)
InChIKeyNDZLRHXCZSUOMS-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
N-[(2-but-3-enoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609732
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
CID 112609537
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
N-(cyanomethyl)-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953401
N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953491
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-butylpropanamide
CID 61390210

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide (CID 115953395) is 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1c(F)cccc1CNCCC.
What is the InChIKey of 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The InChIKey is NDZLRHXCZSUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-9-18-11-13-7-6-8-14(17)15(13)21-12(3)16(20)19-10-5-2/h5-8,12,18H,2,4,9-11H2,1,3H3,(H,19,20).
What are the key properties of 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide has a molecular weight of 294.37 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 115953395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).