2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol

C25H27NO — CID 10269726

IUPAC2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol
SMILESCC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(NCCO)cc1
InChIInChI=1S/C25H27NO/c1-2-21(19-20-9-5-3-6-10-20)25(22-11-7-4-8-12-22)23-13-15-24(16-14-23)26-17-18-27/h3-16,26-27H,2,17-19H2,1H3/b25-21-
InChIKeyCGCVOJSDNQCLFJ-DAFNUICNSA-N
MW357.50 g/mol
LogP5.55
Rot. Bonds8

About 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol

2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol (PubChem CID 10269726) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol
PubChem CID10269726
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol
SMILESCC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(NCCO)cc1
InChIInChI=1S/C25H27NO/c1-2-21(19-20-9-5-3-6-10-20)25(22-11-7-4-8-12-22)23-13-15-24(16-14-23)26-17-18-27/h3-16,26-27H,2,17-19H2,1H3/b25-21-
InChIKeyCGCVOJSDNQCLFJ-DAFNUICNSA-N
XLogP5.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylanilino)ethanol
CID 91561467
4-(2-benzyl-1-phenylbut-1-enyl)-N-[3-(oxan-2-yloxy)propyl]aniline;ethyl N-[4-(2-benzyl-1-phenylbut-1-enyl)phenyl]-N-[3-(oxan-2-yloxy)propyl]carbamate
CID 161319819
1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142379
2-anilinoethanol;dichlorocopper
CID 174762840
2-benzhydrylidenebutylazanium
CID 86308121
4-(2-hydroxyethylamino)-N-(2-phenylethyl)-N-propan-2-ylbenzamide
CID 174639834
N-benzyl-4-(propylamino)benzamide
CID 62172438
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
2-anilinoethanol;1,3-dihydroxypropan-2-one
CID 67927731
1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
CID 70882599
ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
CID 70616201
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol?
The IUPAC name of 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol (CID 10269726) is 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol.
What is the SMILES notation for 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol?
The canonical SMILES for 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol is CC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(NCCO)cc1.
What is the InChIKey of 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol?
The InChIKey is CGCVOJSDNQCLFJ-DAFNUICNSA-N. The full InChI is InChI=1S/C25H27NO/c1-2-21(19-20-9-5-3-6-10-20)25(22-11-7-4-8-12-22)23-13-15-24(16-14-23)26-17-18-27/h3-16,26-27H,2,17-19H2,1H3/b25-21-.
What are the key properties of 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol?
2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol has a molecular weight of 357.50 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-2-benzyl-1-phenylbut-1-enyl]anilino]ethanol is sourced from PubChem (CID 10269726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).