2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide

C14H21FN2O2 — CID 61486884

IUPAC2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1cccc(F)c1CN
InChIInChI=1S/C14H21FN2O2/c1-10(2)6-7-17-14(18)9-19-13-5-3-4-12(15)11(13)8-16/h3-5,10H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyMDCAKUKILXQZNK-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.83
Rot. Bonds7

About 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide

2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 61486884) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
PubChem CID61486884
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1cccc(F)c1CN
InChIInChI=1S/C14H21FN2O2/c1-10(2)6-7-17-14(18)9-19-13-5-3-4-12(15)11(13)8-16/h3-5,10H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyMDCAKUKILXQZNK-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 61486944
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 43214287
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
2-(2-carbamothioyl-3-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 114322981

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide (CID 61486884) is 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1cccc(F)c1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is MDCAKUKILXQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(2)6-7-17-14(18)9-19-13-5-3-4-12(15)11(13)8-16/h3-5,10H,6-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide?
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 268.33 g/mol, XLogP of 1.83, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 61486884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).