2-methoxy-4-(oxetan-3-yloxy)aniline

C10H13NO3 — CID 102605470

IUPAC2-methoxy-4-(oxetan-3-yloxy)aniline
SMILESCOc1cc(OC2COC2)ccc1N
InChIInChI=1S/C10H13NO3/c1-12-10-4-7(2-3-9(10)11)14-8-5-13-6-8/h2-4,8H,5-6,11H2,1H3
InChIKeyGGNNPULTKVRUGM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.05
Rot. Bonds3

About 2-methoxy-4-(oxetan-3-yloxy)aniline

2-methoxy-4-(oxetan-3-yloxy)aniline (PubChem CID 102605470) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methoxy-4-(oxetan-3-yloxy)aniline.

Molecular Properties

Compound Name2-methoxy-4-(oxetan-3-yloxy)aniline
PubChem CID102605470
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-methoxy-4-(oxetan-3-yloxy)aniline
SMILESCOc1cc(OC2COC2)ccc1N
InChIInChI=1S/C10H13NO3/c1-12-10-4-7(2-3-9(10)11)14-8-5-13-6-8/h2-4,8H,5-6,11H2,1H3
InChIKeyGGNNPULTKVRUGM-UHFFFAOYSA-N
XLogP1.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
ethane;4-(oxetan-3-yloxy)aniline
CID 169232472
2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile
CID 102625001
2-[2-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140889304
3-(4-amino-3-methoxyphenoxy)-N-(2-hydroxyethyl)-N-methylazetidine-1-carboxamide
CID 89070013
2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
CID 114340540
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
4-methoxy-3-(oxetan-3-yloxy)benzonitrile
CID 117293213

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(oxetan-3-yloxy)aniline?
The IUPAC name of 2-methoxy-4-(oxetan-3-yloxy)aniline (CID 102605470) is 2-methoxy-4-(oxetan-3-yloxy)aniline.
What is the SMILES notation for 2-methoxy-4-(oxetan-3-yloxy)aniline?
The canonical SMILES for 2-methoxy-4-(oxetan-3-yloxy)aniline is COc1cc(OC2COC2)ccc1N.
What is the InChIKey of 2-methoxy-4-(oxetan-3-yloxy)aniline?
The InChIKey is GGNNPULTKVRUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-12-10-4-7(2-3-9(10)11)14-8-5-13-6-8/h2-4,8H,5-6,11H2,1H3.
What are the key properties of 2-methoxy-4-(oxetan-3-yloxy)aniline?
2-methoxy-4-(oxetan-3-yloxy)aniline has a molecular weight of 195.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(oxetan-3-yloxy)aniline is sourced from PubChem (CID 102605470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).