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

C₁₀H₁₅NOCAS 139306-10-8165.24 g/mol

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Phenol Tertiary amine

Properties

Molecular formula: C₁₀H₁₅NO
Molar mass: 165.24 g/mol
Exact mass: 165.1154 Da
Melting point: 101–102 °C
logP: 2.01Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

139306-10-8

SMILES

C[C@@H](c1cccc(O)c1)N(C)C

InChIKey

GQZXRLWUYONVCP-QMMMGPOBSA-N

InChI

InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1

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Names and synonyms

4 names

Phenol, 3-[(1S)-1-(dimethylamino)ethyl]-
Phenol, 3-[1-(dimethylamino)ethyl]-, (S)-
3-[(1S)-1-(Dimethylamino)ethyl]phenol
NAP 226-90

Work with (S)-3-[1-(Dimethylamino)ethyl]phenol

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

3-Isopropylphenol618-45-158 % similar (αS)-N,N,α-Trimethylbenzenemethanamine17279-31-157 % similar (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-957 % similar 3-(Dimethylamino)phenol99-07-044 % similar Tapentadol hydrochloride175591-09-043 % similar Resorcinol108-46-343 % similar (-)-Phenylephrine59-42-743 % similar Rivastigmine123441-03-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Benzyl-N-methylethanolamine101-98-4 3-[1-(Dimethylamino)ethyl]phenol105601-04-5 2-Amino-4-tert-butylphenol1199-46-8 N-Methyl-N-(2-hydroxyethyl)-P-toluidine2842-44-6 Ephedrine299-42-3 Perillartine30950-27-7 (-)-Pseudoephedrine321-97-1 3-(Methylamino)-1-phenyl-1-propanol42142-52-9

Elsewhere

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