5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol

C24H34N2O — CID 143271073

IUPAC5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol
SMILESCCN(CC)c1ccc(/C=C/CC(C)(CC)c2ccccc2NC)c(O)c1
InChIInChI=1S/C24H34N2O/c1-6-24(4,21-13-9-10-14-22(21)25-5)17-11-12-19-15-16-20(18-23(19)27)26(7-2)8-3/h9-16,18,25,27H,6-8,17H2,1-5H3/b12-11+
InChIKeyLXAKBXSQRXLLFP-VAWYXSNFSA-N
MW366.55 g/mol
LogP6.05
Rot. Bonds9

About 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol

5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol (PubChem CID 143271073) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol
PubChem CID143271073
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol
SMILESCCN(CC)c1ccc(/C=C/CC(C)(CC)c2ccccc2NC)c(O)c1
InChIInChI=1S/C24H34N2O/c1-6-24(4,21-13-9-10-14-22(21)25-5)17-11-12-19-15-16-20(18-23(19)27)26(7-2)8-3/h9-16,18,25,27H,6-8,17H2,1-5H3/b12-11+
InChIKeyLXAKBXSQRXLLFP-VAWYXSNFSA-N
XLogP6.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol (CID 143271073) is 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol is CCN(CC)c1ccc(/C=C/CC(C)(CC)c2ccccc2NC)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol?
The InChIKey is LXAKBXSQRXLLFP-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H34N2O/c1-6-24(4,21-13-9-10-14-22(21)25-5)17-11-12-19-15-16-20(18-23(19)27)26(7-2)8-3/h9-16,18,25,27H,6-8,17H2,1-5H3/b12-11+.
What are the key properties of 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol?
5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol has a molecular weight of 366.55 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol is sourced from PubChem (CID 143271073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).