(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol

C10H15NO2 — CID 5324726

IUPAC(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol
SMILESCOC[C@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10,12H,7,11H2,1H3/t9-,10-/m0/s1
InChIKeySNTCCWUWWYWRLN-UWVGGRQHSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds4

About (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol

(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol (PubChem CID 5324726) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol
PubChem CID5324726
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol
SMILESCOC[C@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10,12H,7,11H2,1H3/t9-,10-/m0/s1
InChIKeySNTCCWUWWYWRLN-UWVGGRQHSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol (CID 5324726) is (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol is COC[C@H](N)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol?
The InChIKey is SNTCCWUWWYWRLN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10,12H,7,11H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol?
(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol is sourced from PubChem (CID 5324726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).