2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide

C11H16N2O2 — CID 30076593

IUPAC2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
SMILESCC[C@H](N)c1ccccc1OCC(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-9(12)8-5-3-4-6-10(8)15-7-11(13)14/h3-6,9H,2,7,12H2,1H3,(H2,13,14)/t9-/m0/s1
InChIKeyPXJBDWQBPLBMRJ-VIFPVBQESA-N
MW208.26 g/mol
LogP0.96
Rot. Bonds5

About 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide

2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide (PubChem CID 30076593) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
PubChem CID30076593
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
SMILESCC[C@H](N)c1ccccc1OCC(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-9(12)8-5-3-4-6-10(8)15-7-11(13)14/h3-6,9H,2,7,12H2,1H3,(H2,13,14)/t9-/m0/s1
InChIKeyPXJBDWQBPLBMRJ-VIFPVBQESA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932557
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 78933161
1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
CID 104930417
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
CID 63890939
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide (CID 30076593) is 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide is CC[C@H](N)c1ccccc1OCC(N)=O.
What is the InChIKey of 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide?
The InChIKey is PXJBDWQBPLBMRJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-9(12)8-5-3-4-6-10(8)15-7-11(13)14/h3-6,9H,2,7,12H2,1H3,(H2,13,14)/t9-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide?
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide has a molecular weight of 208.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide is sourced from PubChem (CID 30076593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).