N-benzyl-N-prop-2-enylaniline

C16H17N — CID 11127913

IUPACN-benzyl-N-prop-2-enylaniline
SMILESC=CCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N/c1-2-13-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyUQWKHXVJTFYFAY-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.88
Rot. Bonds5

About N-benzyl-N-prop-2-enylaniline

N-benzyl-N-prop-2-enylaniline (PubChem CID 11127913) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-benzyl-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-benzyl-N-prop-2-enylaniline
PubChem CID11127913
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-benzyl-N-prop-2-enylaniline
SMILESC=CCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N/c1-2-13-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyUQWKHXVJTFYFAY-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-enylaniline?
The IUPAC name of N-benzyl-N-prop-2-enylaniline (CID 11127913) is N-benzyl-N-prop-2-enylaniline.
What is the SMILES notation for N-benzyl-N-prop-2-enylaniline?
The canonical SMILES for N-benzyl-N-prop-2-enylaniline is C=CCN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-prop-2-enylaniline?
The InChIKey is UQWKHXVJTFYFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-13-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12H,1,13-14H2.
What are the key properties of N-benzyl-N-prop-2-enylaniline?
N-benzyl-N-prop-2-enylaniline has a molecular weight of 223.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-enylaniline is sourced from PubChem (CID 11127913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).