2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine

C26H29NO — CID 5376

IUPAC2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
SMILESCCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3
InChIKeyNKANXQFJJICGDU-UHFFFAOYSA-N
MW371.52 g/mol
LogP6.00
Rot. Bonds8

About 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine

2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 5376) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
PubChem CID5376
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
SMILESCCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3
InChIKeyNKANXQFJJICGDU-UHFFFAOYSA-N
XLogP6.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine (CID 5376) is 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine is CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is NKANXQFJJICGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3.
What are the key properties of 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine?
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 371.52 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 5376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).