1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol

C12H19NO — CID 105447479

IUPAC1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1ccc(C(O)C(C)(C)C)c(N)c1
InChIInChI=1S/C12H19NO/c1-8-5-6-9(10(13)7-8)11(14)12(2,3)4/h5-7,11,14H,13H2,1-4H3
InChIKeyLKEOBQROUWGVDI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.66
Rot. Bonds1

About 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol

1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 105447479) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
PubChem CID105447479
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1ccc(C(O)C(C)(C)C)c(N)c1
InChIInChI=1S/C12H19NO/c1-8-5-6-9(10(13)7-8)11(14)12(2,3)4/h5-7,11,14H,13H2,1-4H3
InChIKeyLKEOBQROUWGVDI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 105450766
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
CID 170827782
1-(2-amino-4-methylphenyl)butane-1,2,4-triol
CID 171872034
1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
CID 130043389
2-(2,3-dimethylheptan-4-yl)-5-methylaniline
CID 167223438
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171261698
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol
CID 105494977
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol (CID 105447479) is 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol is Cc1ccc(C(O)C(C)(C)C)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is LKEOBQROUWGVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-5-6-9(10(13)7-8)11(14)12(2,3)4/h5-7,11,14H,13H2,1-4H3.
What are the key properties of 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol?
1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 105447479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).