2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide

C14H21FN2O2 — CID 61486944

IUPAC2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(F)c1CN
InChIInChI=1S/C14H21FN2O2/c1-3-10(4-2)17-14(18)9-19-13-7-5-6-12(15)11(13)8-16/h5-7,10H,3-4,8-9,16H2,1-2H3,(H,17,18)
InChIKeyKQCZDJFVKDVKHO-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.97
Rot. Bonds7

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

2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide (PubChem CID 61486944) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
PubChem CID61486944
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(F)c1CN
InChIInChI=1S/C14H21FN2O2/c1-3-10(4-2)17-14(18)9-19-13-7-5-6-12(15)11(13)8-16/h5-7,10H,3-4,8-9,16H2,1-2H3,(H,17,18)
InChIKeyKQCZDJFVKDVKHO-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
CID 43609214
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 61486884
2-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 82826951
methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
CID 107341978
4-[2-(aminomethyl)-3-fluorophenoxy]-N-methylbutanamide
CID 63892441
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
CID 43609385
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61487053
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486905
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide (CID 61486944) is 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cccc(F)c1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
The InChIKey is KQCZDJFVKDVKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-10(4-2)17-14(18)9-19-13-7-5-6-12(15)11(13)8-16/h5-7,10H,3-4,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide has a molecular weight of 268.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).