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

C20H21ClN2 — CID 118713757

IUPACN-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride
SMILESCl.c1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C20H20N2.ClH/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;1H
InChIKeyYYZODXXLBSUZSX-UHFFFAOYSA-N
MW324.86 g/mol
LogP4.24
Rot. Bonds4

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

N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride (PubChem CID 118713757) has the molecular formula C20H21ClN2 and a molecular weight of 324.86 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride
PubChem CID118713757
Molecular FormulaC20H21ClN2
Molecular Weight324.86 g/mol
Exact Mass324.14
IUPAC NameN-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride
SMILESCl.c1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C20H20N2.ClH/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;1H
InChIKeyYYZODXXLBSUZSX-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 54.24
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;hydrochloride?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride (CID 118713757) is N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride is Cl.c1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride?
The InChIKey is YYZODXXLBSUZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2.ClH/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;1H.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride?
N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride has a molecular weight of 324.86 g/mol, XLogP of 4.24, 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;hydrochloride is sourced from PubChem (CID 118713757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).