2-(4-aminophenyl)-3-methylbutan-2-ol

C11H17NO — CID 115015456

IUPAC2-(4-aminophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-8(2)11(3,13)9-4-6-10(12)7-5-9/h4-8,13H,12H2,1-3H3
InChIKeyXTWZZCZEURTALP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds2

About 2-(4-aminophenyl)-3-methylbutan-2-ol

2-(4-aminophenyl)-3-methylbutan-2-ol (PubChem CID 115015456) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-methylbutan-2-ol
PubChem CID115015456
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(4-aminophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-8(2)11(3,13)9-4-6-10(12)7-5-9/h4-8,13H,12H2,1-3H3
InChIKeyXTWZZCZEURTALP-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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

3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234
2-(4-aminophenyl)-2,3-dimethylbutanoyl chloride
CID 117048074
1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
CID 22890028
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
benzene-1,4-diamine;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
CID 90976001
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-methylbutan-2-ol?
The IUPAC name of 2-(4-aminophenyl)-3-methylbutan-2-ol (CID 115015456) is 2-(4-aminophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(4-aminophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(4-aminophenyl)-3-methylbutan-2-ol is CC(C)C(C)(O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-3-methylbutan-2-ol?
The InChIKey is XTWZZCZEURTALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)11(3,13)9-4-6-10(12)7-5-9/h4-8,13H,12H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-3-methylbutan-2-ol?
2-(4-aminophenyl)-3-methylbutan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 115015456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).