2-amino-4,6-bis(prop-1-en-2-yl)phenol

C12H15NO — CID 89402305

IUPAC2-amino-4,6-bis(prop-1-en-2-yl)phenol
SMILESC=C(C)c1cc(N)c(O)c(C(=C)C)c1
InChIInChI=1S/C12H15NO/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-6,14H,1,3,13H2,2,4H3
InChIKeyOIRSKNJUNGELBI-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.04
Rot. Bonds2

About 2-amino-4,6-bis(prop-1-en-2-yl)phenol

2-amino-4,6-bis(prop-1-en-2-yl)phenol (PubChem CID 89402305) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-amino-4,6-bis(prop-1-en-2-yl)phenol.

Molecular Properties

Compound Name2-amino-4,6-bis(prop-1-en-2-yl)phenol
PubChem CID89402305
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-amino-4,6-bis(prop-1-en-2-yl)phenol
SMILESC=C(C)c1cc(N)c(O)c(C(=C)C)c1
InChIInChI=1S/C12H15NO/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-6,14H,1,3,13H2,2,4H3
InChIKeyOIRSKNJUNGELBI-UHFFFAOYSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.04
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'}

Analyze 2-amino-4,6-bis(prop-1-en-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-bis(prop-1-en-2-yl)phenol?
The IUPAC name of 2-amino-4,6-bis(prop-1-en-2-yl)phenol (CID 89402305) is 2-amino-4,6-bis(prop-1-en-2-yl)phenol.
What is the SMILES notation for 2-amino-4,6-bis(prop-1-en-2-yl)phenol?
The canonical SMILES for 2-amino-4,6-bis(prop-1-en-2-yl)phenol is C=C(C)c1cc(N)c(O)c(C(=C)C)c1.
What is the InChIKey of 2-amino-4,6-bis(prop-1-en-2-yl)phenol?
The InChIKey is OIRSKNJUNGELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-6,14H,1,3,13H2,2,4H3.
What are the key properties of 2-amino-4,6-bis(prop-1-en-2-yl)phenol?
2-amino-4,6-bis(prop-1-en-2-yl)phenol has a molecular weight of 189.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-bis(prop-1-en-2-yl)phenol is sourced from PubChem (CID 89402305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).