N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine

C21H22N2 — CID 118713804

IUPACN-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESc1ccc(CN(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C21H22N2/c1-2-6-17(7-3-1)15-23(21-13-22-14-21)16-18-10-11-19-8-4-5-9-20(19)12-18/h1-12,21-22H,13-16H2
InChIKeyDLJBWQLXARVMNC-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.81
Rot. Bonds5

About N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine

N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine (PubChem CID 118713804) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine
PubChem CID118713804
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESc1ccc(CN(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C21H22N2/c1-2-6-17(7-3-1)15-23(21-13-22-14-21)16-18-10-11-19-8-4-5-9-20(19)12-18/h1-12,21-22H,13-16H2
InChIKeyDLJBWQLXARVMNC-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The IUPAC name of N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine (CID 118713804) is N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine.
What is the SMILES notation for N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The canonical SMILES for N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine is c1ccc(CN(Cc2ccc3ccccc3c2)C2CNC2)cc1.
What is the InChIKey of N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The InChIKey is DLJBWQLXARVMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-2-6-17(7-3-1)15-23(21-13-22-14-21)16-18-10-11-19-8-4-5-9-20(19)12-18/h1-12,21-22H,13-16H2.
What are the key properties of N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine has a molecular weight of 302.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 118713804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).