N-benzyl-N-phenylazetidin-3-amine

C16H18N2 — CID 118713759

IUPACN-benzyl-N-phenylazetidin-3-amine
SMILESc1ccc(CN(c2ccccc2)C2CNC2)cc1
InChIInChI=1S/C16H18N2/c1-3-7-14(8-4-1)13-18(16-11-17-12-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyYZYKKYIJQMFWMY-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.66
Rot. Bonds4

About N-benzyl-N-phenylazetidin-3-amine

N-benzyl-N-phenylazetidin-3-amine (PubChem CID 118713759) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-benzyl-N-phenylazetidin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-phenylazetidin-3-amine
PubChem CID118713759
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-benzyl-N-phenylazetidin-3-amine
SMILESc1ccc(CN(c2ccccc2)C2CNC2)cc1
InChIInChI=1S/C16H18N2/c1-3-7-14(8-4-1)13-18(16-11-17-12-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyYZYKKYIJQMFWMY-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenylazetidin-3-amine?
The IUPAC name of N-benzyl-N-phenylazetidin-3-amine (CID 118713759) is N-benzyl-N-phenylazetidin-3-amine.
What is the SMILES notation for N-benzyl-N-phenylazetidin-3-amine?
The canonical SMILES for N-benzyl-N-phenylazetidin-3-amine is c1ccc(CN(c2ccccc2)C2CNC2)cc1.
What is the InChIKey of N-benzyl-N-phenylazetidin-3-amine?
The InChIKey is YZYKKYIJQMFWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-7-14(8-4-1)13-18(16-11-17-12-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2.
What are the key properties of N-benzyl-N-phenylazetidin-3-amine?
N-benzyl-N-phenylazetidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenylazetidin-3-amine is sourced from PubChem (CID 118713759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).