2-[3-(aminomethyl)phenoxy]butanamide

C11H16N2O2 — CID 55210264

IUPAC2-[3-(aminomethyl)phenoxy]butanamide
SMILESCCC(Oc1cccc(CN)c1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-10(11(13)14)15-9-5-3-4-8(6-9)7-12/h3-6,10H,2,7,12H2,1H3,(H2,13,14)
InChIKeyHIQQTFAGLUSADP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]butanamide

2-[3-(aminomethyl)phenoxy]butanamide (PubChem CID 55210264) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]butanamide
PubChem CID55210264
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[3-(aminomethyl)phenoxy]butanamide
SMILESCCC(Oc1cccc(CN)c1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-10(11(13)14)15-9-5-3-4-8(6-9)7-12/h3-6,10H,2,7,12H2,1H3,(H2,13,14)
InChIKeyHIQQTFAGLUSADP-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenoxy)butanamide
CID 62901524
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
[3-(aminomethyl)phenyl] propanoate
CID 174426533
2-(4-methylphenoxy)butanamide
CID 4980758
2-[3-(aminomethyl)phenoxy]butanenitrile;hydrochloride
CID 54593305
2-[5-(aminomethyl)-2-nitrophenoxy]butanamide
CID 62900391
2-(4-ethoxyphenoxy)butanamide
CID 62901060
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
2-[4-(methylaminomethyl)phenoxy]butanamide
CID 62900383

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]butanamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]butanamide (CID 55210264) is 2-[3-(aminomethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]butanamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]butanamide is CCC(Oc1cccc(CN)c1)C(N)=O.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]butanamide?
The InChIKey is HIQQTFAGLUSADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-10(11(13)14)15-9-5-3-4-8(6-9)7-12/h3-6,10H,2,7,12H2,1H3,(H2,13,14).
What are the key properties of 2-[3-(aminomethyl)phenoxy]butanamide?
2-[3-(aminomethyl)phenoxy]butanamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]butanamide is sourced from PubChem (CID 55210264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).