5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol

C13H19NO — CID 70143761

IUPAC5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C(C)(C)C)c(N)cc1O
InChIInChI=1S/C13H19NO/c1-8(2)9-6-10(13(3,4)5)11(14)7-12(9)15/h6-7,15H,1,14H2,2-5H3
InChIKeyYLDIIISMVPYYBV-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.31
Rot. Bonds1

About 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol

5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol (PubChem CID 70143761) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol
PubChem CID70143761
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C(C)(C)C)c(N)cc1O
InChIInChI=1S/C13H19NO/c1-8(2)9-6-10(13(3,4)5)11(14)7-12(9)15/h6-7,15H,1,14H2,2-5H3
InChIKeyYLDIIISMVPYYBV-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol?
The IUPAC name of 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol (CID 70143761) is 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol.
What is the SMILES notation for 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol?
The canonical SMILES for 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol is C=C(C)c1cc(C(C)(C)C)c(N)cc1O.
What is the InChIKey of 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol?
The InChIKey is YLDIIISMVPYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8(2)9-6-10(13(3,4)5)11(14)7-12(9)15/h6-7,15H,1,14H2,2-5H3.
What are the key properties of 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol?
5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol has a molecular weight of 205.30 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol is sourced from PubChem (CID 70143761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).