N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine

C20H20N2 — CID 118713758

IUPACN-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine
SMILESc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C20H20N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h1-12,20-21H,13-15H2
InChIKeyZORXXZXBJAAYER-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.82
Rot. Bonds4

About N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine

N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine (PubChem CID 118713758) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine
PubChem CID118713758
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine
SMILESc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C20H20N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h1-12,20-21H,13-15H2
InChIKeyZORXXZXBJAAYER-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine (CID 118713758) is N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine is c1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine?
The InChIKey is ZORXXZXBJAAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h1-12,20-21H,13-15H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine?
N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine has a molecular weight of 288.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine is sourced from PubChem (CID 118713758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).