N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline

C23H22N2 — CID 86018952

IUPACN-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline
SMILESC=CCN(Cc1ccccc1)c1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C23H22N2/c1-2-17-25(19-20-11-5-3-6-12-20)23-16-10-9-13-21(23)18-24-22-14-7-4-8-15-22/h2-16,18H,1,17,19H2/b24-18+
InChIKeyRHLJKVSNLFUALC-HKOYGPOVSA-N
MW326.44 g/mol
LogP5.63
Rot. Bonds7

About N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline

N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline (PubChem CID 86018952) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline
PubChem CID86018952
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline
SMILESC=CCN(Cc1ccccc1)c1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C23H22N2/c1-2-17-25(19-20-11-5-3-6-12-20)23-16-10-9-13-21(23)18-24-22-14-7-4-8-15-22/h2-16,18H,1,17,19H2/b24-18+
InChIKeyRHLJKVSNLFUALC-HKOYGPOVSA-N
XLogP5.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline?
The IUPAC name of N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline (CID 86018952) is N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline.
What is the SMILES notation for N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline?
The canonical SMILES for N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline is C=CCN(Cc1ccccc1)c1ccccc1/C=N/c1ccccc1.
What is the InChIKey of N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline?
The InChIKey is RHLJKVSNLFUALC-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H22N2/c1-2-17-25(19-20-11-5-3-6-12-20)23-16-10-9-13-21(23)18-24-22-14-7-4-8-15-22/h2-16,18H,1,17,19H2/b24-18+.
What are the key properties of N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline?
N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline has a molecular weight of 326.44 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline is sourced from PubChem (CID 86018952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).