4-[1-hydroxy-2-(methylamino)ethyl]phenol

C9H13NO2 — CID 7172

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IUPAC4-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
InChIKeyYRCWQPVGYLYSOX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds3

About 4-[1-hydroxy-2-(methylamino)ethyl]phenol

4-[1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 7172) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID7172
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
InChIKeyYRCWQPVGYLYSOX-UHFFFAOYSA-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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CID 3779
Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Salbutamol
CID 2083
Terbutaline
CID 5403
Nylidrin
CID 4567
Metaraminol
CID 5906

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]phenol (CID 7172) is 4-[1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-(methylamino)ethyl]phenol is CNCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is YRCWQPVGYLYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3.
What are the key properties of 4-[1-hydroxy-2-(methylamino)ethyl]phenol?
4-[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 4-[1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 7172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).