N-[(E)-2,3-diphenylprop-2-enyl]aniline

C21H19N — CID 101023407

IUPACN-[(E)-2,3-diphenylprop-2-enyl]aniline
SMILESC(=C(/CNc1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C21H19N/c1-4-10-18(11-5-1)16-20(19-12-6-2-7-13-19)17-22-21-14-8-3-9-15-21/h1-16,22H,17H2/b20-16-
InChIKeyXJYJROVYUNCGCD-SILNSSARSA-N
MW285.39 g/mol
LogP5.34
Rot. Bonds5

About N-[(E)-2,3-diphenylprop-2-enyl]aniline

N-[(E)-2,3-diphenylprop-2-enyl]aniline (PubChem CID 101023407) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(E)-2,3-diphenylprop-2-enyl]aniline.

Molecular Properties

Compound NameN-[(E)-2,3-diphenylprop-2-enyl]aniline
PubChem CID101023407
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC NameN-[(E)-2,3-diphenylprop-2-enyl]aniline
SMILESC(=C(/CNc1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C21H19N/c1-4-10-18(11-5-1)16-20(19-12-6-2-7-13-19)17-22-21-14-8-3-9-15-21/h1-16,22H,17H2/b20-16-
InChIKeyXJYJROVYUNCGCD-SILNSSARSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-2,3-diphenylprop-2-enyl]amino]-N-(2-hydroxyethyl)benzamide
CID 177366331
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
2,3-diphenylprop-2-enylsulfamic acid
CID 174655398
(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol
CID 177412233
4-chloro-N-(2-phenylbut-2-enyl)aniline
CID 123900162
(E)-3,4-diphenylbut-3-enethial
CID 87918444
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
(Z)-4,5-diphenylpent-4-enal
CID 102069655
(Z)-4-anilino-2-phenylbut-2-en-1-ol
CID 177431332
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
(E)-2-benzoyl-N,3-diphenylprop-2-enamide
CID 9448914

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-diphenylprop-2-enyl]aniline?
The IUPAC name of N-[(E)-2,3-diphenylprop-2-enyl]aniline (CID 101023407) is N-[(E)-2,3-diphenylprop-2-enyl]aniline.
What is the SMILES notation for N-[(E)-2,3-diphenylprop-2-enyl]aniline?
The canonical SMILES for N-[(E)-2,3-diphenylprop-2-enyl]aniline is C(=C(/CNc1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of N-[(E)-2,3-diphenylprop-2-enyl]aniline?
The InChIKey is XJYJROVYUNCGCD-SILNSSARSA-N. The full InChI is InChI=1S/C21H19N/c1-4-10-18(11-5-1)16-20(19-12-6-2-7-13-19)17-22-21-14-8-3-9-15-21/h1-16,22H,17H2/b20-16-.
What are the key properties of N-[(E)-2,3-diphenylprop-2-enyl]aniline?
N-[(E)-2,3-diphenylprop-2-enyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-diphenylprop-2-enyl]aniline is sourced from PubChem (CID 101023407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).