3-[4-(aminomethyl)phenoxy]-2-methylpropanamide

C11H16N2O2 — CID 43311802

IUPAC3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
SMILESCC(COc1ccc(CN)cc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-8(11(13)14)7-15-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,12H2,1H3,(H2,13,14)
InChIKeyAZWWMIMLOSLWNR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.65
Rot. Bonds5

About 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide

3-[4-(aminomethyl)phenoxy]-2-methylpropanamide (PubChem CID 43311802) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
PubChem CID43311802
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
SMILESCC(COc1ccc(CN)cc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-8(11(13)14)7-15-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,12H2,1H3,(H2,13,14)
InChIKeyAZWWMIMLOSLWNR-UHFFFAOYSA-N
XLogP0.65
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
4-[4-(aminomethyl)phenyl]-2-methylbutanamide
CID 175316753
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315
3-(3-cyanophenoxy)-2-methylpropanamide
CID 43312194
2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
CID 43311938

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide (CID 43311802) is 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide is CC(COc1ccc(CN)cc1)C(N)=O.
What is the InChIKey of 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide?
The InChIKey is AZWWMIMLOSLWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(11(13)14)7-15-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,12H2,1H3,(H2,13,14).
What are the key properties of 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide?
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenoxy]-2-methylpropanamide is sourced from PubChem (CID 43311802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).