2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol

C28H30N2O — CID 137306454

IUPAC2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol
SMILESC=CCN(CC=C)c1ccc(/N=C/c2cccc(C(C)(C)c3ccccc3)c2O)cc1
InChIInChI=1S/C28H30N2O/c1-5-19-30(20-6-2)25-17-15-24(16-18-25)29-21-22-11-10-14-26(27(22)31)28(3,4)23-12-8-7-9-13-23/h5-18,21,31H,1-2,19-20H2,3-4H3/b29-21+
InChIKeyRVVILOVTUFRALT-XHLNEMQHSA-N
MW410.56 g/mol
LogP6.65
Rot. Bonds9

About 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol

2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol (PubChem CID 137306454) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol
PubChem CID137306454
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol
SMILESC=CCN(CC=C)c1ccc(/N=C/c2cccc(C(C)(C)c3ccccc3)c2O)cc1
InChIInChI=1S/C28H30N2O/c1-5-19-30(20-6-2)25-17-15-24(16-18-25)29-21-22-11-10-14-26(27(22)31)28(3,4)23-12-8-7-9-13-23/h5-18,21,31H,1-2,19-20H2,3-4H3/b29-21+
InChIKeyRVVILOVTUFRALT-XHLNEMQHSA-N
XLogP6.65
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol (CID 137306454) is 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol is C=CCN(CC=C)c1ccc(/N=C/c2cccc(C(C)(C)c3ccccc3)c2O)cc1.
What is the InChIKey of 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol?
The InChIKey is RVVILOVTUFRALT-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H30N2O/c1-5-19-30(20-6-2)25-17-15-24(16-18-25)29-21-22-11-10-14-26(27(22)31)28(3,4)23-12-8-7-9-13-23/h5-18,21,31H,1-2,19-20H2,3-4H3/b29-21+.
What are the key properties of 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol?
2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol has a molecular weight of 410.56 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(prop-2-enyl)amino]phenyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 137306454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).