4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol

C25H29N3O — CID 71764228

IUPAC4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol
SMILESCN(C)c1ccc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc1
InChIInChI=1S/C25H29N3O/c1-27(2)23-13-9-20(10-14-23)6-5-19-7-11-22(12-8-19)26-18-21-17-24(28(3)4)15-16-25(21)29/h5-17,26,29H,18H2,1-4H3/b6-5+
InChIKeyJDOVFUYIDKBDIZ-AATRIKPKSA-N
MW387.53 g/mol
LogP5.31
Rot. Bonds7

About 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol

4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol (PubChem CID 71764228) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol.

Molecular Properties

Compound Name4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol
PubChem CID71764228
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol
SMILESCN(C)c1ccc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc1
InChIInChI=1S/C25H29N3O/c1-27(2)23-13-9-20(10-14-23)6-5-19-7-11-22(12-8-19)26-18-21-17-24(28(3)4)15-16-25(21)29/h5-17,26,29H,18H2,1-4H3/b6-5+
InChIKeyJDOVFUYIDKBDIZ-AATRIKPKSA-N
XLogP5.31
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol?
The IUPAC name of 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol (CID 71764228) is 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol.
What is the SMILES notation for 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol?
The canonical SMILES for 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol is CN(C)c1ccc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol?
The InChIKey is JDOVFUYIDKBDIZ-AATRIKPKSA-N. The full InChI is InChI=1S/C25H29N3O/c1-27(2)23-13-9-20(10-14-23)6-5-19-7-11-22(12-8-19)26-18-21-17-24(28(3)4)15-16-25(21)29/h5-17,26,29H,18H2,1-4H3/b6-5+.
What are the key properties of 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol?
4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol has a molecular weight of 387.53 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anilino]methyl]phenol is sourced from PubChem (CID 71764228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).