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

C25H27NO — CID 6378383

IUPAC2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1
InChIInChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-
InChIKeyNYDCDZSEEAUOHN-IZHYLOQSSA-N
MW357.50 g/mol
LogP5.65
Rot. Bonds8

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

2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine (PubChem CID 6378383) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
PubChem CID6378383
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1
InChIInChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-
InChIKeyNYDCDZSEEAUOHN-IZHYLOQSSA-N
XLogP5.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?
The IUPAC name of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine (CID 6378383) is 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?
The canonical SMILES for 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine is CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?
The InChIKey is NYDCDZSEEAUOHN-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-.
What are the key properties of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine?
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine has a molecular weight of 357.50 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine is sourced from PubChem (CID 6378383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).