N-benzyl-2-(1-phenylethenyl)aniline

C21H19N — CID 132548743

IUPACN-benzyl-2-(1-phenylethenyl)aniline
SMILESC=C(c1ccccc1)c1ccccc1NCc1ccccc1
InChIInChI=1S/C21H19N/c1-17(19-12-6-3-7-13-19)20-14-8-9-15-21(20)22-16-18-10-4-2-5-11-18/h2-15,22H,1,16H2
InChIKeyIWBLUWQZQCCPJQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.36
Rot. Bonds5

About N-benzyl-2-(1-phenylethenyl)aniline

N-benzyl-2-(1-phenylethenyl)aniline (PubChem CID 132548743) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-2-(1-phenylethenyl)aniline.

Molecular Properties

Compound NameN-benzyl-2-(1-phenylethenyl)aniline
PubChem CID132548743
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-2-(1-phenylethenyl)aniline
SMILESC=C(c1ccccc1)c1ccccc1NCc1ccccc1
InChIInChI=1S/C21H19N/c1-17(19-12-6-3-7-13-19)20-14-8-9-15-21(20)22-16-18-10-4-2-5-11-18/h2-15,22H,1,16H2
InChIKeyIWBLUWQZQCCPJQ-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-phenylethenyl)aniline?
The IUPAC name of N-benzyl-2-(1-phenylethenyl)aniline (CID 132548743) is N-benzyl-2-(1-phenylethenyl)aniline.
What is the SMILES notation for N-benzyl-2-(1-phenylethenyl)aniline?
The canonical SMILES for N-benzyl-2-(1-phenylethenyl)aniline is C=C(c1ccccc1)c1ccccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-phenylethenyl)aniline?
The InChIKey is IWBLUWQZQCCPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-17(19-12-6-3-7-13-19)20-14-8-9-15-21(20)22-16-18-10-4-2-5-11-18/h2-15,22H,1,16H2.
What are the key properties of N-benzyl-2-(1-phenylethenyl)aniline?
N-benzyl-2-(1-phenylethenyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-phenylethenyl)aniline is sourced from PubChem (CID 132548743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).