N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline

C21H19N — CID 23278560

IUPACN-[(E)-1,3-diphenylprop-1-en-2-yl]aniline
SMILESC(=C(\Cc1ccccc1)Nc1ccccc1)\c1ccccc1
InChIInChI=1S/C21H19N/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-16,22H,17H2/b21-16+
InChIKeyBEERTDFBSFZHMA-LTGZKZEYSA-N
MW285.39 g/mol
LogP5.38
Rot. Bonds5

About N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline

N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline (PubChem CID 23278560) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline.

Molecular Properties

Compound NameN-[(E)-1,3-diphenylprop-1-en-2-yl]aniline
PubChem CID23278560
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC NameN-[(E)-1,3-diphenylprop-1-en-2-yl]aniline
SMILESC(=C(\Cc1ccccc1)Nc1ccccc1)\c1ccccc1
InChIInChI=1S/C21H19N/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-16,22H,17H2/b21-16+
InChIKeyBEERTDFBSFZHMA-LTGZKZEYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline?
The IUPAC name of N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline (CID 23278560) is N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline.
What is the SMILES notation for N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline?
The canonical SMILES for N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline is C(=C(\Cc1ccccc1)Nc1ccccc1)\c1ccccc1.
What is the InChIKey of N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline?
The InChIKey is BEERTDFBSFZHMA-LTGZKZEYSA-N. The full InChI is InChI=1S/C21H19N/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-16,22H,17H2/b21-16+.
What are the key properties of N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline?
N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline has a molecular weight of 285.39 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline is sourced from PubChem (CID 23278560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).