N-benzyl-1-phenyl-N-prop-2-enoxymethanamine

C17H19NO — CID 19825260

IUPACN-benzyl-1-phenyl-N-prop-2-enoxymethanamine
SMILESC=CCON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-2-13-19-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h2-12H,1,13-15H2
InChIKeyFJZHPEWESRUOLD-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.81
Rot. Bonds7

About N-benzyl-1-phenyl-N-prop-2-enoxymethanamine

N-benzyl-1-phenyl-N-prop-2-enoxymethanamine (PubChem CID 19825260) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-prop-2-enoxymethanamine.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-prop-2-enoxymethanamine
PubChem CID19825260
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-benzyl-1-phenyl-N-prop-2-enoxymethanamine
SMILESC=CCON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-2-13-19-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h2-12H,1,13-15H2
InChIKeyFJZHPEWESRUOLD-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-benzyl-1-phenyl-N-prop-2-enoxymethanamine?
The IUPAC name of N-benzyl-1-phenyl-N-prop-2-enoxymethanamine (CID 19825260) is N-benzyl-1-phenyl-N-prop-2-enoxymethanamine.
What is the SMILES notation for N-benzyl-1-phenyl-N-prop-2-enoxymethanamine?
The canonical SMILES for N-benzyl-1-phenyl-N-prop-2-enoxymethanamine is C=CCON(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-N-prop-2-enoxymethanamine?
The InChIKey is FJZHPEWESRUOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-13-19-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h2-12H,1,13-15H2.
What are the key properties of N-benzyl-1-phenyl-N-prop-2-enoxymethanamine?
N-benzyl-1-phenyl-N-prop-2-enoxymethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-prop-2-enoxymethanamine is sourced from PubChem (CID 19825260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).