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

C13H19FN2O2 — CID 43609214

IUPAC2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccc(F)c1CN
InChIInChI=1S/C13H19FN2O2/c1-3-9(2)16-13(17)8-18-12-6-4-5-11(14)10(12)7-15/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyKTCQNPNIIZMRQH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.58
Rot. Bonds6

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

2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide (PubChem CID 43609214) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
PubChem CID43609214
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccc(F)c1CN
InChIInChI=1S/C13H19FN2O2/c1-3-9(2)16-13(17)8-18-12-6-4-5-11(14)10(12)7-15/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyKTCQNPNIIZMRQH-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 61486944
N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
CID 43609385
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 61486884
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
CID 107700699
N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide
CID 142517104
4-[2-(aminomethyl)-3-fluorophenoxy]-N-methylbutanamide
CID 63892441
4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide (CID 43609214) is 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cccc(F)c1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide?
The InChIKey is KTCQNPNIIZMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-9(2)16-13(17)8-18-12-6-4-5-11(14)10(12)7-15/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide?
2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.58, 6 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-butan-2-ylacetamide is sourced from PubChem (CID 43609214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).