3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline

C15H24N2O — CID 79677306

IUPAC3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
SMILESCC(C)(C)C1CN(CCOc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-10-17(11-12)7-8-18-14-6-4-5-13(16)9-14/h4-6,9,12H,7-8,10-11,16H2,1-3H3
InChIKeyCRTIIGFZECGECO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds4

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

3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline (PubChem CID 79677306) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
PubChem CID79677306
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
SMILESCC(C)(C)C1CN(CCOc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-10-17(11-12)7-8-18-14-6-4-5-13(16)9-14/h4-6,9,12H,7-8,10-11,16H2,1-3H3
InChIKeyCRTIIGFZECGECO-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
3-[(3-tert-butylazetidin-1-yl)methyl]aniline
CID 79689119
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
CID 54985182
3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline
CID 43581101
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
3-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774777
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline (CID 79677306) is 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline is CC(C)(C)C1CN(CCOc2cccc(N)c2)C1.
What is the InChIKey of 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline?
The InChIKey is CRTIIGFZECGECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)12-10-17(11-12)7-8-18-14-6-4-5-13(16)9-14/h4-6,9,12H,7-8,10-11,16H2,1-3H3.
What are the key properties of 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline?
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 79677306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).