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

C25H27NO — CID 3036702

IUPAC2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H27NO/c1-20(21-10-6-4-7-11-21)25(22-12-8-5-9-13-22)23-14-16-24(17-15-23)27-19-18-26(2)3/h4-17H,18-19H2,1-3H3/b25-20-
InChIKeyYBZBQYHSLRTDHL-QQTULTPQSA-N
MW357.50 g/mol
LogP5.61
Rot. Bonds7

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

2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 3036702) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
PubChem CID3036702
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H27NO/c1-20(21-10-6-4-7-11-21)25(22-12-8-5-9-13-22)23-14-16-24(17-15-23)27-19-18-26(2)3/h4-17H,18-19H2,1-3H3/b25-20-
InChIKeyYBZBQYHSLRTDHL-QQTULTPQSA-N
XLogP5.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.61
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-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine (CID 3036702) is 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine is C/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is YBZBQYHSLRTDHL-QQTULTPQSA-N. The full InChI is InChI=1S/C25H27NO/c1-20(21-10-6-4-7-11-21)25(22-12-8-5-9-13-22)23-14-16-24(17-15-23)27-19-18-26(2)3/h4-17H,18-19H2,1-3H3/b25-20-.
What are the key properties of 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 357.50 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 3036702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).