4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline

C24H26N2O — CID 118735364

IUPAC4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline
SMILESCC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15H,2,16-17,25-26H2,1H3/b24-23+
InChIKeyIJDOWHOPKTVVQU-WCWDXBQESA-N
MW358.49 g/mol
LogP4.98
Rot. Bonds7

About 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline

4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline (PubChem CID 118735364) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline.

Molecular Properties

Compound Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline
PubChem CID118735364
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline
SMILESCC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15H,2,16-17,25-26H2,1H3/b24-23+
InChIKeyIJDOWHOPKTVVQU-WCWDXBQESA-N
XLogP4.98
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline 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 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline?
The IUPAC name of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline (CID 118735364) is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline.
What is the SMILES notation for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline?
The canonical SMILES for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline is CC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1.
What is the InChIKey of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline?
The InChIKey is IJDOWHOPKTVVQU-WCWDXBQESA-N. The full InChI is InChI=1S/C24H26N2O/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15H,2,16-17,25-26H2,1H3/b24-23+.
What are the key properties of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline?
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline has a molecular weight of 358.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]aniline is sourced from PubChem (CID 118735364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).