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

C20H19ClN2 — CID 118713806

IUPACN-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESClc1cccc(N(Cc2ccc3ccccc3c2)C2CNC2)c1
InChIInChI=1S/C20H19ClN2/c21-18-6-3-7-19(11-18)23(20-12-22-13-20)14-15-8-9-16-4-1-2-5-17(16)10-15/h1-11,20,22H,12-14H2
InChIKeyZEIUBTWYEVLKJP-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.47
Rot. Bonds4

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

N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine (PubChem CID 118713806) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
PubChem CID118713806
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC NameN-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESClc1cccc(N(Cc2ccc3ccccc3c2)C2CNC2)c1
InChIInChI=1S/C20H19ClN2/c21-18-6-3-7-19(11-18)23(20-12-22-13-20)14-15-8-9-16-4-1-2-5-17(16)10-15/h1-11,20,22H,12-14H2
InChIKeyZEIUBTWYEVLKJP-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The IUPAC name of N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine (CID 118713806) is N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine is Clc1cccc(N(Cc2ccc3ccccc3c2)C2CNC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The InChIKey is ZEIUBTWYEVLKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c21-18-6-3-7-19(11-18)23(20-12-22-13-20)14-15-8-9-16-4-1-2-5-17(16)10-15/h1-11,20,22H,12-14H2.
What are the key properties of N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine has a molecular weight of 322.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 118713806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).