4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

C26H30N2O2 — CID 70355270

IUPAC4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCN)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-2-25(20-6-4-3-5-7-20)26(21-8-12-23(29)13-9-21)22-10-14-24(15-11-22)30-19-18-28-17-16-27/h3-15,28-29H,2,16-19,27H2,1H3
InChIKeyIBOGTICPYNDHHQ-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.69
Rot. Bonds10

About 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 70355270) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID70355270
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCN)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-2-25(20-6-4-3-5-7-20)26(21-8-12-23(29)13-9-21)22-10-14-24(15-11-22)30-19-18-28-17-16-27/h3-15,28-29H,2,16-19,27H2,1H3
InChIKeyIBOGTICPYNDHHQ-UHFFFAOYSA-N
XLogP4.69
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (CID 70355270) is 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is CCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCN)cc1)c1ccccc1.
What is the InChIKey of 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is IBOGTICPYNDHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-2-25(20-6-4-3-5-7-20)26(21-8-12-23(29)13-9-21)22-10-14-24(15-11-22)30-19-18-28-17-16-27/h3-15,28-29H,2,16-19,27H2,1H3.
What are the key properties of 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 402.54 g/mol, XLogP of 4.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(2-aminoethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 70355270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).