(E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine

C13H19NO2 — CID 27241016

IUPAC(E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine
SMILESCOc1ccc(OC/C=C/CN(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-14(2)10-4-5-11-16-13-8-6-12(15-3)7-9-13/h4-9H,10-11H2,1-3H3/b5-4+
InChIKeyFEWLJONWZDIMRK-SNAWJCMRSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds6

About (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine

(E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine (PubChem CID 27241016) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine
PubChem CID27241016
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine
SMILESCOc1ccc(OC/C=C/CN(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-14(2)10-4-5-11-16-13-8-6-12(15-3)7-9-13/h4-9H,10-11H2,1-3H3/b5-4+
InChIKeyFEWLJONWZDIMRK-SNAWJCMRSA-N
XLogP2.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-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 (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine?
The IUPAC name of (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine (CID 27241016) is (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine?
The canonical SMILES for (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine is COc1ccc(OC/C=C/CN(C)C)cc1.
What is the InChIKey of (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine?
The InChIKey is FEWLJONWZDIMRK-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(2)10-4-5-11-16-13-8-6-12(15-3)7-9-13/h4-9H,10-11H2,1-3H3/b5-4+.
What are the key properties of (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine?
(E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine is sourced from PubChem (CID 27241016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).