2-amino-6-butan-2-ylphenol

C10H15NO — CID 14993637

IUPAC2-amino-6-butan-2-ylphenol
SMILESCCC(C)c1cccc(N)c1O
InChIInChI=1S/C10H15NO/c1-3-7(2)8-5-4-6-9(11)10(8)12/h4-7,12H,3,11H2,1-2H3
InChIKeyHNAIMDRBIUQMKD-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.49
Rot. Bonds2

About 2-amino-6-butan-2-ylphenol

2-amino-6-butan-2-ylphenol (PubChem CID 14993637) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-6-butan-2-ylphenol.

Molecular Properties

Compound Name2-amino-6-butan-2-ylphenol
PubChem CID14993637
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-6-butan-2-ylphenol
SMILESCCC(C)c1cccc(N)c1O
InChIInChI=1S/C10H15NO/c1-3-7(2)8-5-4-6-9(11)10(8)12/h4-7,12H,3,11H2,1-2H3
InChIKeyHNAIMDRBIUQMKD-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yl-6-iodophenol
CID 11242844
2-[(2-amino-6-butan-2-ylphenyl)methyl]-3-butan-2-ylaniline
CID 18175359
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2-butan-2-yl-6-cyclopropylphenol
CID 3058303
2,3,6-tri(butan-2-yl)phenol
CID 101292764
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092
2-amino-6-[bis(2-aminophenyl)methyl]phenol
CID 18365826
2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
CID 144742837
2-butan-2-ylphenol;formaldehyde
CID 66765994
2-butan-2-yl-6-(3-ethyl-4-methylhexyl)phenol
CID 150613334

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-butan-2-ylphenol?
The IUPAC name of 2-amino-6-butan-2-ylphenol (CID 14993637) is 2-amino-6-butan-2-ylphenol.
What is the SMILES notation for 2-amino-6-butan-2-ylphenol?
The canonical SMILES for 2-amino-6-butan-2-ylphenol is CCC(C)c1cccc(N)c1O.
What is the InChIKey of 2-amino-6-butan-2-ylphenol?
The InChIKey is HNAIMDRBIUQMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-7(2)8-5-4-6-9(11)10(8)12/h4-7,12H,3,11H2,1-2H3.
What are the key properties of 2-amino-6-butan-2-ylphenol?
2-amino-6-butan-2-ylphenol has a molecular weight of 165.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-butan-2-ylphenol is sourced from PubChem (CID 14993637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).