5-[(2-Hydroxyethyl)amino]-2-methylphenol

C₉H₁₃NO₂CAS 55302-96-0167.21 g/mol

Open in Covalent MOL file

Alcohol Phenol Secondary amine

Properties

Molecular formula: C₉H₁₃NO₂
Molar mass: 167.21 g/mol
Exact mass: 167.0946 Da
logP: 1.10Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation34.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation37.1% of notifiers
H411 Toxic to aquatic life with long lasting effects51.7% of notifiers

Aggregated from 143 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

55302-96-0

SMILES

Cc1ccc(NCCO)cc1O

InChIKey

YGRFRBUGAPOJDU-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Phenol, 5-[(2-hydroxyethyl)amino]-2-methyl-
2-Methyl-5-(N-β-hydroxyethylamino)phenol
5-(2-Hydroxyethylamino)-2-methylphenol
2-Methyl-5-[(2-hydroxyethyl)amino]phenol
5-N-(β-Hydroxyethyl)amino-2-methylphenol
5-[(β-Hydroxyethyl)amino]-2-methylphenol
5-[N-(2-Hydroxyethyl)amino]-2-methylphenol
2-Methyl-5-hydroxyethylaminophenol
1-Methyl-2-hydroxy-4-(β-hydroxyethyl)aminobenzene

Work with 5-[(2-Hydroxyethyl)amino]-2-methylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-((2-Hydroxyethyl)amino)-1,3-benzodioxol81329-90-046 % similar N-(2-Hydroxyethyl)aniline122-98-545 % similar 4-Methylresorcinol496-73-144 % similar 2,5-Dimethylphenol95-87-444 % similar 5-Amino-2-methylphenol2635-98-542 % similar 5-Amino-2-methylphenol2835-95-242 % similar 5-Bromo-2-methylphenol36138-76-842 % similar 5-Fluoro-2-methylphenol452-85-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 2,4-Dimethoxybenzylamine20781-20-8 2,6-Dimethoxybenzylamine20781-22-0 Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-2 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook