2-(1-amino-2,2-dimethylpropyl)-5-methylphenol

C12H19NO — CID 130043389

IUPAC2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
SMILESCc1ccc(C(N)C(C)(C)C)c(O)c1
InChIInChI=1S/C12H19NO/c1-8-5-6-9(10(14)7-8)11(13)12(2,3)4/h5-7,11,14H,13H2,1-4H3
InChIKeyGNXNHFSWUKLCKE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.75
Rot. Bonds1

About 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol

2-(1-amino-2,2-dimethylpropyl)-5-methylphenol (PubChem CID 130043389) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
PubChem CID130043389
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
SMILESCc1ccc(C(N)C(C)(C)C)c(O)c1
InChIInChI=1S/C12H19NO/c1-8-5-6-9(10(14)7-8)11(13)12(2,3)4/h5-7,11,14H,13H2,1-4H3
InChIKeyGNXNHFSWUKLCKE-UHFFFAOYSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171243758
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171250488
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-5-methylphenol;hydrochloride
CID 171312610
2-[(1S)-1-amino-2,2-dimethylpropyl]-5-methoxyphenol;hydrochloride
CID 171239815
2-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-5-methylphenol
CID 131423163
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
CID 131172092
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-5-methylphenol
CID 171264627
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol (CID 130043389) is 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol is Cc1ccc(C(N)C(C)(C)C)c(O)c1.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol?
The InChIKey is GNXNHFSWUKLCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-5-6-9(10(14)7-8)11(13)12(2,3)4/h5-7,11,14H,13H2,1-4H3.
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol?
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-5-methylphenol is sourced from PubChem (CID 130043389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).