1-phenylpropan-2-ylazanium acetate

C11H17NO2 — CID 19982931

IUPAC1-phenylpropan-2-ylazanium acetate
SMILESCC(=O)[O-].CC([NH3+])Cc1ccccc1
InChIInChI=1S/C9H13N.C2H4O2/c1-8(10)7-9-5-3-2-4-6-9;1-2(3)4/h2-6,8H,7,10H2,1H3;1H3,(H,3,4)
InChIKeyLDHWFIAPQZAILI-UHFFFAOYSA-N
MW195.26 g/mol
LogP-0.38
Rot. Bonds2

About 1-phenylpropan-2-ylazanium acetate

1-phenylpropan-2-ylazanium acetate (PubChem CID 19982931) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-phenylpropan-2-ylazanium acetate.

Molecular Properties

Compound Name1-phenylpropan-2-ylazanium acetate
PubChem CID19982931
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-phenylpropan-2-ylazanium acetate
SMILESCC(=O)[O-].CC([NH3+])Cc1ccccc1
InChIInChI=1S/C9H13N.C2H4O2/c1-8(10)7-9-5-3-2-4-6-9;1-2(3)4/h2-6,8H,7,10H2,1H3;1H3,(H,3,4)
InChIKeyLDHWFIAPQZAILI-UHFFFAOYSA-N
XLogP-0.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-2-ylazanium acetate?
The IUPAC name of 1-phenylpropan-2-ylazanium acetate (CID 19982931) is 1-phenylpropan-2-ylazanium acetate.
What is the SMILES notation for 1-phenylpropan-2-ylazanium acetate?
The canonical SMILES for 1-phenylpropan-2-ylazanium acetate is CC(=O)[O-].CC([NH3+])Cc1ccccc1.
What is the InChIKey of 1-phenylpropan-2-ylazanium acetate?
The InChIKey is LDHWFIAPQZAILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H4O2/c1-8(10)7-9-5-3-2-4-6-9;1-2(3)4/h2-6,8H,7,10H2,1H3;1H3,(H,3,4).
What are the key properties of 1-phenylpropan-2-ylazanium acetate?
1-phenylpropan-2-ylazanium acetate has a molecular weight of 195.26 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-2-ylazanium acetate is sourced from PubChem (CID 19982931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).