(1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol

C13H20N2O2 — CID 10513992

IUPAC(1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESN[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c14-12(10-15-6-8-17-9-7-15)13(16)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/t12-,13-/m0/s1
InChIKeyKXYGLCHZMVIZML-STQMWFEESA-N
MW236.31 g/mol
LogP0.38
Rot. Bonds4

About (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol

(1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol (PubChem CID 10513992) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol
PubChem CID10513992
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESN[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c14-12(10-15-6-8-17-9-7-15)13(16)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/t12-,13-/m0/s1
InChIKeyKXYGLCHZMVIZML-STQMWFEESA-N
XLogP0.38
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol (CID 10513992) is (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol is N[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol?
The InChIKey is KXYGLCHZMVIZML-STQMWFEESA-N. The full InChI is InChI=1S/C13H20N2O2/c14-12(10-15-6-8-17-9-7-15)13(16)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol?
(1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 10513992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).