4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol

C10H15NO2 — CID 688009

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IUPAC4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol
SMILESCN[C@@H](C)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/m0/s1
InChIKeyOXFGTKPPFSCSMA-XVKPBYJWSA-N
MW181.23 g/mol
LogP1.03
Rot. Bonds3

About 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol

4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol (PubChem CID 688009) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol
PubChem CID688009
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol
SMILESCN[C@@H](C)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/m0/s1
InChIKeyOXFGTKPPFSCSMA-XVKPBYJWSA-N
XLogP1.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol?
The IUPAC name of 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol (CID 688009) is 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol.
What is the SMILES notation for 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol?
The canonical SMILES for 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol is CN[C@@H](C)[C@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol?
The InChIKey is OXFGTKPPFSCSMA-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/m0/s1.
What are the key properties of 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol?
4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol has a molecular weight of 181.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol is sourced from PubChem (CID 688009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).