N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine

C21H22N2 — CID 118713768

IUPACN-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESCc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C21H22N2/c1-16-6-10-20(11-7-16)23(21-13-22-14-21)15-17-8-9-18-4-2-3-5-19(18)12-17/h2-12,21-22H,13-15H2,1H3
InChIKeyOFHFGOZYBFKXKO-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.13
Rot. Bonds4

About N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine

N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine (PubChem CID 118713768) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
PubChem CID118713768
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESCc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1
InChIInChI=1S/C21H22N2/c1-16-6-10-20(11-7-16)23(21-13-22-14-21)15-17-8-9-18-4-2-3-5-19(18)12-17/h2-12,21-22H,13-15H2,1H3
InChIKeyOFHFGOZYBFKXKO-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The IUPAC name of N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine (CID 118713768) is N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The canonical SMILES for N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine is Cc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The InChIKey is OFHFGOZYBFKXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-16-6-10-20(11-7-16)23(21-13-22-14-21)15-17-8-9-18-4-2-3-5-19(18)12-17/h2-12,21-22H,13-15H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine has a molecular weight of 302.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 118713768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).