4-(Aminomethyl)-2,6-dimethylphenol

C₉H₁₃NOCAS 876-15-3151.21 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₉H₁₃NO
Molar mass: 151.21 g/mol
Exact mass: 151.0997 Da
logP: 1.47Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

876-15-3

SMILES

CC1=CC(=CC(=C1O)C)CN

InChIKey

YZNPLEYSBNPOLB-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,5,10H2,1-2H3

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Work with 4-(Aminomethyl)-2,6-dimethylphenol

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

Tetramethyl bisphenol F5384-21-464 % similar 3,4-Dimethylbenzenemethanamine102-48-754 % similar 3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-152 % similar Mesitol527-60-650 % similar 2,6-Dimethylhydroquinone654-42-250 % similar 4-Iodo-2,6-dimethylphenol10570-67-948 % similar 3,5-Dimethylbenzenemethanamine78710-55-148 % similar (4-Fluoro-3-methylphenyl)methanamine261951-68-247 % similar

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

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-p-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 3-Methoxy-N,N-dimethylbenzenamine15799-79-8 Phenylalaninol16088-07-6 4-(Dimethylamino)benzyl alcohol1703-46-4 (R)-3-Amino-3-phenylpropan-1-ol170564-98-4 3-Methoxyphenethylamine2039-67-0

Elsewhere

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