2-(1-amino-2-methylpropyl)-5-methylphenol

C11H17NO — CID 55283226

IUPAC2-(1-amino-2-methylpropyl)-5-methylphenol
SMILESCc1ccc(C(N)C(C)C)c(O)c1
InChIInChI=1S/C11H17NO/c1-7(2)11(12)9-5-4-8(3)6-10(9)13/h4-7,11,13H,12H2,1-3H3
InChIKeyQGIYWUPEDIPLHU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.36
Rot. Bonds2

About 2-(1-amino-2-methylpropyl)-5-methylphenol

2-(1-amino-2-methylpropyl)-5-methylphenol (PubChem CID 55283226) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-5-methylphenol.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-5-methylphenol
PubChem CID55283226
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(1-amino-2-methylpropyl)-5-methylphenol
SMILESCc1ccc(C(N)C(C)C)c(O)c1
InChIInChI=1S/C11H17NO/c1-7(2)11(12)9-5-4-8(3)6-10(9)13/h4-7,11,13H,12H2,1-3H3
InChIKeyQGIYWUPEDIPLHU-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.36
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-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-5-methylphenol
CID 131423163
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
CID 130043389
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-5-methylphenol
CID 171264627
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-[(1R)-1-amino-3-methylbutyl]-5-methylphenol;hydrochloride
CID 171212407
2-[(1S,2R)-1-amino-2-hydroxypentyl]-5-methylphenol;hydrochloride
CID 171270306

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-5-methylphenol?
The IUPAC name of 2-(1-amino-2-methylpropyl)-5-methylphenol (CID 55283226) is 2-(1-amino-2-methylpropyl)-5-methylphenol.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-5-methylphenol?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-5-methylphenol is Cc1ccc(C(N)C(C)C)c(O)c1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-5-methylphenol?
The InChIKey is QGIYWUPEDIPLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)11(12)9-5-4-8(3)6-10(9)13/h4-7,11,13H,12H2,1-3H3.
What are the key properties of 2-(1-amino-2-methylpropyl)-5-methylphenol?
2-(1-amino-2-methylpropyl)-5-methylphenol has a molecular weight of 179.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-5-methylphenol is sourced from PubChem (CID 55283226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).