N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline

C23H23FN2O — CID 142725307

IUPACN-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline
SMILESFc1ccc(CN(CC2CNC2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23FN2O/c24-20-8-6-18(7-9-20)16-26(17-19-14-25-15-19)21-10-12-23(13-11-21)27-22-4-2-1-3-5-22/h1-13,19,25H,14-17H2
InChIKeyYZEJZGRBSZMYFO-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.84
Rot. Bonds7

About N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline

N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline (PubChem CID 142725307) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline
PubChem CID142725307
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline
SMILESFc1ccc(CN(CC2CNC2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23FN2O/c24-20-8-6-18(7-9-20)16-26(17-19-14-25-15-19)21-10-12-23(13-11-21)27-22-4-2-1-3-5-22/h1-13,19,25H,14-17H2
InChIKeyYZEJZGRBSZMYFO-UHFFFAOYSA-N
XLogP4.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline (CID 142725307) is N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline is Fc1ccc(CN(CC2CNC2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline?
The InChIKey is YZEJZGRBSZMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-20-8-6-18(7-9-20)16-26(17-19-14-25-15-19)21-10-12-23(13-11-21)27-22-4-2-1-3-5-22/h1-13,19,25H,14-17H2.
What are the key properties of N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline?
N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline has a molecular weight of 362.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-[(4-fluorophenyl)methyl]-4-phenoxyaniline is sourced from PubChem (CID 142725307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).