3-amino-2,6-bis(prop-2-enyl)phenol

C12H15NO — CID 158258478

IUPAC3-amino-2,6-bis(prop-2-enyl)phenol
SMILESC=CCc1ccc(N)c(CC=C)c1O
InChIInChI=1S/C12H15NO/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6,13H2
InChIKeyGHORPKYJSATAAS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-2,6-bis(prop-2-enyl)phenol

3-amino-2,6-bis(prop-2-enyl)phenol (PubChem CID 158258478) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-amino-2,6-bis(prop-2-enyl)phenol.

Molecular Properties

Compound Name3-amino-2,6-bis(prop-2-enyl)phenol
PubChem CID158258478
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-amino-2,6-bis(prop-2-enyl)phenol
SMILESC=CCc1ccc(N)c(CC=C)c1O
InChIInChI=1S/C12H15NO/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6,13H2
InChIKeyGHORPKYJSATAAS-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-bis(prop-2-enyl)phenol?
The IUPAC name of 3-amino-2,6-bis(prop-2-enyl)phenol (CID 158258478) is 3-amino-2,6-bis(prop-2-enyl)phenol.
What is the SMILES notation for 3-amino-2,6-bis(prop-2-enyl)phenol?
The canonical SMILES for 3-amino-2,6-bis(prop-2-enyl)phenol is C=CCc1ccc(N)c(CC=C)c1O.
What is the InChIKey of 3-amino-2,6-bis(prop-2-enyl)phenol?
The InChIKey is GHORPKYJSATAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6,13H2.
What are the key properties of 3-amino-2,6-bis(prop-2-enyl)phenol?
3-amino-2,6-bis(prop-2-enyl)phenol has a molecular weight of 189.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-bis(prop-2-enyl)phenol is sourced from PubChem (CID 158258478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).