3-[(1S)-1-(methylamino)ethyl]phenol

C9H13NO — CID 11495842

IUPAC3-[(1S)-1-(methylamino)ethyl]phenol
SMILESCN[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C9H13NO/c1-7(10-2)8-4-3-5-9(11)6-8/h3-7,10-11H,1-2H3/t7-/m0/s1
InChIKeyAEOMELCUDZBIFY-ZETCQYMHSA-N
MW151.21 g/mol
LogP1.67
Rot. Bonds2

About 3-[(1S)-1-(methylamino)ethyl]phenol

3-[(1S)-1-(methylamino)ethyl]phenol (PubChem CID 11495842) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-[(1S)-1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1-(methylamino)ethyl]phenol
PubChem CID11495842
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-[(1S)-1-(methylamino)ethyl]phenol
SMILESCN[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C9H13NO/c1-7(10-2)8-4-3-5-9(11)6-8/h3-7,10-11H,1-2H3/t7-/m0/s1
InChIKeyAEOMELCUDZBIFY-ZETCQYMHSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(methylamino)ethyl]phenol?
The IUPAC name of 3-[(1S)-1-(methylamino)ethyl]phenol (CID 11495842) is 3-[(1S)-1-(methylamino)ethyl]phenol.
What is the SMILES notation for 3-[(1S)-1-(methylamino)ethyl]phenol?
The canonical SMILES for 3-[(1S)-1-(methylamino)ethyl]phenol is CN[C@@H](C)c1cccc(O)c1.
What is the InChIKey of 3-[(1S)-1-(methylamino)ethyl]phenol?
The InChIKey is AEOMELCUDZBIFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(10-2)8-4-3-5-9(11)6-8/h3-7,10-11H,1-2H3/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-(methylamino)ethyl]phenol?
3-[(1S)-1-(methylamino)ethyl]phenol has a molecular weight of 151.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(methylamino)ethyl]phenol is sourced from PubChem (CID 11495842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).