ethane;4-(oxetan-3-yloxy)aniline

C11H17NO2 — CID 169232472

IUPACethane;4-(oxetan-3-yloxy)aniline
SMILESCC.Nc1ccc(OC2COC2)cc1
InChIInChI=1S/C9H11NO2.C2H6/c10-7-1-3-8(4-2-7)12-9-5-11-6-9;1-2/h1-4,9H,5-6,10H2;1-2H3
InChIKeyLRYZKGOAOJFEDU-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.07
Rot. Bonds2

About ethane;4-(oxetan-3-yloxy)aniline

ethane;4-(oxetan-3-yloxy)aniline (PubChem CID 169232472) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;4-(oxetan-3-yloxy)aniline.

Molecular Properties

Compound Nameethane;4-(oxetan-3-yloxy)aniline
PubChem CID169232472
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;4-(oxetan-3-yloxy)aniline
SMILESCC.Nc1ccc(OC2COC2)cc1
InChIInChI=1S/C9H11NO2.C2H6/c10-7-1-3-8(4-2-7)12-9-5-11-6-9;1-2/h1-4,9H,5-6,10H2;1-2H3
InChIKeyLRYZKGOAOJFEDU-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(oxetan-3-yloxy)aniline
CID 102605470
4-(oxetan-3-yloxy)benzenecarbothioamide
CID 115669739
4-(oxetan-3-yloxy)benzonitrile
CID 56604390
N-methyl-1-[4-(oxetan-3-yloxy)phenyl]methanamine
CID 83484226
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
3-(4-aminophenoxy)cyclobutan-1-ol
CID 170347103
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
4-[1-(oxetan-3-yloxy)ethyl]aniline
CID 102605660
4-bromo-3-(oxetan-3-yloxy)aniline
CID 170782598
3-(4-azidophenoxy)oxetane
CID 146635962
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol
CID 688371

Frequently Asked Questions

What is the IUPAC name of ethane;4-(oxetan-3-yloxy)aniline?
The IUPAC name of ethane;4-(oxetan-3-yloxy)aniline (CID 169232472) is ethane;4-(oxetan-3-yloxy)aniline.
What is the SMILES notation for ethane;4-(oxetan-3-yloxy)aniline?
The canonical SMILES for ethane;4-(oxetan-3-yloxy)aniline is CC.Nc1ccc(OC2COC2)cc1.
What is the InChIKey of ethane;4-(oxetan-3-yloxy)aniline?
The InChIKey is LRYZKGOAOJFEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c10-7-1-3-8(4-2-7)12-9-5-11-6-9;1-2/h1-4,9H,5-6,10H2;1-2H3.
What are the key properties of ethane;4-(oxetan-3-yloxy)aniline?
ethane;4-(oxetan-3-yloxy)aniline has a molecular weight of 195.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(oxetan-3-yloxy)aniline is sourced from PubChem (CID 169232472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).