N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine

C21H21ClN2 — CID 118713784

IUPACN-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(CN(CC2CNC2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21ClN2/c22-20-8-5-16(6-9-20)14-24(15-17-12-23-13-17)21-10-7-18-3-1-2-4-19(18)11-21/h1-11,17,23H,12-15H2
InChIKeyRFOWVRRSDGGQJF-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.72
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine

N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine (PubChem CID 118713784) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine
PubChem CID118713784
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC NameN-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(CN(CC2CNC2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21ClN2/c22-20-8-5-16(6-9-20)14-24(15-17-12-23-13-17)21-10-7-18-3-1-2-4-19(18)11-21/h1-11,17,23H,12-15H2
InChIKeyRFOWVRRSDGGQJF-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine (CID 118713784) is N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine is Clc1ccc(CN(CC2CNC2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
The InChIKey is RFOWVRRSDGGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c22-20-8-5-16(6-9-20)14-24(15-17-12-23-13-17)21-10-7-18-3-1-2-4-19(18)11-21/h1-11,17,23H,12-15H2.
What are the key properties of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine has a molecular weight of 336.87 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 118713784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).