2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline

C17H20N2O — CID 79688063

IUPAC2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CC(c2ccccc2)C1
InChIInChI=1S/C17H20N2O/c18-16-8-4-5-9-17(16)20-11-10-19-12-15(13-19)14-6-2-1-3-7-14/h1-9,15H,10-13,18H2
InChIKeyRRQGQIKJGSLZQZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.75
Rot. Bonds5

About 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline

2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline (PubChem CID 79688063) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline
PubChem CID79688063
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CC(c2ccccc2)C1
InChIInChI=1S/C17H20N2O/c18-16-8-4-5-9-17(16)20-11-10-19-12-15(13-19)14-6-2-1-3-7-14/h1-9,15H,10-13,18H2
InChIKeyRRQGQIKJGSLZQZ-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
CID 103531079
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine
CID 79678749
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
4-[2-(2-aminophenoxy)ethyl]piperazine-1-carbaldehyde
CID 82087161
2-[2-(3,3-dimethoxyazetidin-1-yl)ethoxy]aniline
CID 79688995
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
2-[2-(2-ethylmorpholin-4-yl)ethoxy]aniline
CID 43562249
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]aniline
CID 79940825
[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776376
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline (CID 79688063) is 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline is Nc1ccccc1OCCN1CC(c2ccccc2)C1.
What is the InChIKey of 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline?
The InChIKey is RRQGQIKJGSLZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-16-8-4-5-9-17(16)20-11-10-19-12-15(13-19)14-6-2-1-3-7-14/h1-9,15H,10-13,18H2.
What are the key properties of 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline?
2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline has a molecular weight of 268.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 79688063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).