(E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol

C11H15NO — CID 101071782

IUPAC(E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1ccccc1N
InChIInChI=1S/C11H15NO/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-8,13H,12H2,1-2H3/b8-7+
InChIKeyQOUKDBWDPFWWTA-BQYQJAHWSA-N
MW177.25 g/mol
LogP2.05
Rot. Bonds2

About (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol

(E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol (PubChem CID 101071782) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol
PubChem CID101071782
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1ccccc1N
InChIInChI=1S/C11H15NO/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-8,13H,12H2,1-2H3/b8-7+
InChIKeyQOUKDBWDPFWWTA-BQYQJAHWSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.05
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 (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol (CID 101071782) is (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol is CC(C)(O)/C=C/c1ccccc1N.
What is the InChIKey of (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol?
The InChIKey is QOUKDBWDPFWWTA-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-8,13H,12H2,1-2H3/b8-7+.
What are the key properties of (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol?
(E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol has a molecular weight of 177.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-aminophenyl)-2-methylbut-3-en-2-ol is sourced from PubChem (CID 101071782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).