2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine

C26H29NO3 — CID 11283

💊View drug profile → aminoxytriphene
IUPAC2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCOc1ccc(C(CN(C)C)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO3/c1-27(2)18-25(19-6-12-22(28-3)13-7-19)26(20-8-14-23(29-4)15-9-20)21-10-16-24(30-5)17-11-21/h6-17H,18H2,1-5H3
InChIKeyFRQGJOFRWIILCX-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.23
Rot. Bonds8

About 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine

2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine (PubChem CID 11283) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine
PubChem CID11283
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCOc1ccc(C(CN(C)C)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO3/c1-27(2)18-25(19-6-12-22(28-3)13-7-19)26(20-8-14-23(29-4)15-9-20)21-10-16-24(30-5)17-11-21/h6-17H,18H2,1-5H3
InChIKeyFRQGJOFRWIILCX-UHFFFAOYSA-N
XLogP5.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine (CID 11283) is 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine is COc1ccc(C(CN(C)C)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine?
The InChIKey is FRQGJOFRWIILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-27(2)18-25(19-6-12-22(28-3)13-7-19)26(20-8-14-23(29-4)15-9-20)21-10-16-24(30-5)17-11-21/h6-17H,18H2,1-5H3.
What are the key properties of 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine?
2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine has a molecular weight of 403.52 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-tris(4-methoxyphenyl)-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 11283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).