3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol

C9H13NO2 — CID 6041

💊View drug profile → phenylephrine
IUPAC3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNC[C@H](O)c1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
InChIKeySONNWYBIRXJNDC-VIFPVBQESA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds3

About 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol

3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 6041) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID6041
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNC[C@H](O)c1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
InChIKeySONNWYBIRXJNDC-VIFPVBQESA-N
XLogP0.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Nylidrin
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Metaraminol
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Metaproterenol
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(+-)-Adrenaline
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Etilefrine
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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol (CID 6041) is 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol is CNC[C@H](O)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is SONNWYBIRXJNDC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 167.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 6041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).