4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol

C28H34N2O2 — CID 24825450

IUPAC4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol
SMILESCNCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-29-19-7-10-27(22-8-5-4-6-9-22)28(23-11-15-25(31)16-12-23)24-13-17-26(18-14-24)32-21-20-30(2)3/h4-6,8-9,11-18,29,31H,7,10,19-21H2,1-3H3/b28-27-
InChIKeyKBVZAQAFMUFMQN-DQSJHHFOSA-N
MW430.59 g/mol
LogP5.29
Rot. Bonds11

About 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol

4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol (PubChem CID 24825450) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol
PubChem CID24825450
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol
SMILESCNCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-29-19-7-10-27(22-8-5-4-6-9-22)28(23-11-15-25(31)16-12-23)24-13-17-26(18-14-24)32-21-20-30(2)3/h4-6,8-9,11-18,29,31H,7,10,19-21H2,1-3H3/b28-27-
InChIKeyKBVZAQAFMUFMQN-DQSJHHFOSA-N
XLogP5.29
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.29
H-Bond Donors ≤ 52
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-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol (CID 24825450) is 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol is CNCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol?
The InChIKey is KBVZAQAFMUFMQN-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-29-19-7-10-27(22-8-5-4-6-9-22)28(23-11-15-25(31)16-12-23)24-13-17-26(18-14-24)32-21-20-30(2)3/h4-6,8-9,11-18,29,31H,7,10,19-21H2,1-3H3/b28-27-.
What are the key properties of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol?
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol has a molecular weight of 430.59 g/mol, XLogP of 5.29, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(methylamino)-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 24825450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).