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

C9H13NO2 — CID 90457201

IUPAC4-[2-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNC(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-10-9(12)6-7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
InChIKeyRDLCKWZWZOVEIT-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.47
Rot. Bonds3

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

4-[2-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 90457201) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[2-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID90457201
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-[2-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNC(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-10-9(12)6-7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
InChIKeyRDLCKWZWZOVEIT-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
CID 82540513
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 4-[2-hydroxy-2-(methylamino)ethyl]phenol (CID 90457201) is 4-[2-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-[2-hydroxy-2-(methylamino)ethyl]phenol is CNC(O)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is RDLCKWZWZOVEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-9(12)6-7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3.
What are the key properties of 4-[2-hydroxy-2-(methylamino)ethyl]phenol?
4-[2-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 167.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 90457201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).