1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine

C12H15NO — CID 130664194

IUPAC1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine
SMILESCNC(C#Cc1ccccc1)COC
InChIInChI=1S/C12H15NO/c1-13-12(10-14-2)9-8-11-6-4-3-5-7-11/h3-7,12-13H,10H2,1-2H3
InChIKeyIVGXCFQARZRDKL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.27
Rot. Bonds3

About 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine

1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine (PubChem CID 130664194) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine
PubChem CID130664194
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine
SMILESCNC(C#Cc1ccccc1)COC
InChIInChI=1S/C12H15NO/c1-13-12(10-14-2)9-8-11-6-4-3-5-7-11/h3-7,12-13H,10H2,1-2H3
InChIKeyIVGXCFQARZRDKL-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine 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 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine?
The IUPAC name of 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine (CID 130664194) is 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine is CNC(C#Cc1ccccc1)COC.
What is the InChIKey of 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine?
The InChIKey is IVGXCFQARZRDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-12(10-14-2)9-8-11-6-4-3-5-7-11/h3-7,12-13H,10H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine?
1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine is sourced from PubChem (CID 130664194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).