N-(1,3-diphenylpropan-2-ylideneamino)aniline

C21H20N2 — CID 3699418

IUPACN-(1,3-diphenylpropan-2-ylideneamino)aniline
SMILESc1ccc(CC(Cc2ccccc2)=NNc2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)23-22-20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyWDAQMYFSTDVVNF-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.94
Rot. Bonds6

About N-(1,3-diphenylpropan-2-ylideneamino)aniline

N-(1,3-diphenylpropan-2-ylideneamino)aniline (PubChem CID 3699418) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)aniline.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)aniline
PubChem CID3699418
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)aniline
SMILESc1ccc(CC(Cc2ccccc2)=NNc2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)23-22-20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyWDAQMYFSTDVVNF-UHFFFAOYSA-N
XLogP4.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)aniline?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)aniline (CID 3699418) is N-(1,3-diphenylpropan-2-ylideneamino)aniline.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)aniline?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)aniline is c1ccc(CC(Cc2ccccc2)=NNc2ccccc2)cc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)aniline?
The InChIKey is WDAQMYFSTDVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)23-22-20-14-8-3-9-15-20/h1-15,22H,16-17H2.
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)aniline?
N-(1,3-diphenylpropan-2-ylideneamino)aniline has a molecular weight of 300.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)aniline is sourced from PubChem (CID 3699418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).