2-amino-3-methoxy-2-phenylpropan-1-ol

C10H15NO2 — CID 64804708

IUPAC2-amino-3-methoxy-2-phenylpropan-1-ol
SMILESCOCC(N)(CO)c1ccccc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(11,7-12)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3
InChIKeyHVKXIVOQRGJRCY-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-3-methoxy-2-phenylpropan-1-ol

2-amino-3-methoxy-2-phenylpropan-1-ol (PubChem CID 64804708) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-amino-3-methoxy-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-methoxy-2-phenylpropan-1-ol
PubChem CID64804708
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-amino-3-methoxy-2-phenylpropan-1-ol
SMILESCOCC(N)(CO)c1ccccc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(11,7-12)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3
InChIKeyHVKXIVOQRGJRCY-UHFFFAOYSA-N
XLogP0.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Amino-2-phenylethan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-methoxy-2-phenylpropan-1-ol (CID 64804708) is 2-amino-3-methoxy-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-methoxy-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-methoxy-2-phenylpropan-1-ol is COCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-methoxy-2-phenylpropan-1-ol?
The InChIKey is HVKXIVOQRGJRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-8-10(11,7-12)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3.
What are the key properties of 2-amino-3-methoxy-2-phenylpropan-1-ol?
2-amino-3-methoxy-2-phenylpropan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-2-phenylpropan-1-ol is sourced from PubChem (CID 64804708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).