2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide

C16H25FN2O2 — CID 107695704

IUPAC2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
SMILESCCNCc1cc(F)ccc1OCC(=O)NC(CC)CC
InChIInChI=1S/C16H25FN2O2/c1-4-14(5-2)19-16(20)11-21-15-8-7-13(17)9-12(15)10-18-6-3/h7-9,14,18H,4-6,10-11H2,1-3H3,(H,19,20)
InChIKeyHQHGNEHJHZMSEG-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.62
Rot. Bonds9

About 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide

2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide (PubChem CID 107695704) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
PubChem CID107695704
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
SMILESCCNCc1cc(F)ccc1OCC(=O)NC(CC)CC
InChIInChI=1S/C16H25FN2O2/c1-4-14(5-2)19-16(20)11-21-15-8-7-13(17)9-12(15)10-18-6-3/h7-9,14,18H,4-6,10-11H2,1-3H3,(H,19,20)
InChIKeyHQHGNEHJHZMSEG-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
CID 107695692
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61487053
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
CID 107700699
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 61486944
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide (CID 107695704) is 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide is CCNCc1cc(F)ccc1OCC(=O)NC(CC)CC.
What is the InChIKey of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide?
The InChIKey is HQHGNEHJHZMSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-14(5-2)19-16(20)11-21-15-8-7-13(17)9-12(15)10-18-6-3/h7-9,14,18H,4-6,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide?
2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide has a molecular weight of 296.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 107695704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).