N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline

C21H22N2 — CID 118713774

IUPACN-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline
SMILESc1ccc(N(Cc2ccc3ccccc3c2)CC2CNC2)cc1
InChIInChI=1S/C21H22N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h1-12,18,22H,13-16H2
InChIKeyZIAIFHJOUYILEF-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.07
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline

N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 118713774) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline
PubChem CID118713774
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline
SMILESc1ccc(N(Cc2ccc3ccccc3c2)CC2CNC2)cc1
InChIInChI=1S/C21H22N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h1-12,18,22H,13-16H2
InChIKeyZIAIFHJOUYILEF-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline (CID 118713774) is N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline is c1ccc(N(Cc2ccc3ccccc3c2)CC2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is ZIAIFHJOUYILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h1-12,18,22H,13-16H2.
What are the key properties of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline?
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline has a molecular weight of 302.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 118713774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).